SCHEMBL9908235

SCHEMBL9908235

CC(C)C(C)c1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.46
ADRB1 P08588 2/20 0.46
AOC3 Q16853 1/20 0.46
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
NFKB1 P19838 2/20 0.45
CYP1A2 P05177 1/20 0.45
PNMT P11086 1/20 0.45
NISCH Q9Y2I1 1/20 0.44
LMNA P02545 3/20 0.43
ALDH1A1 P00352 3/20 0.43
GLA P06280 1/20 0.43
TSHR P16473 4/20 0.43
CYP19A1 P11511 1/20 0.41
HIF1A Q16665 3/20 0.41
IDO1 P14902 2/20 0.41
TDO2 P48775 2/20 0.41
IDO2 Q6ZQW0 2/20 0.41
CYP2C19 P33261 2/20 0.41
BLM P54132 2/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12744755 1.00 ADRB2 (0.46) ADRB2ADRB1AOC3CYP3A4CYP2D6
SCHEMBL19574904 1.00 ADRB2 (0.46) ADRB2ADRB1AOC3CYP3A4CYP2D6
SCHEMBL19121577 1.00 ADRB2 (0.46) ADRB2ADRB1AOC3CYP3A4CYP2D6
SCHEMBL21612980 0.86 ADRB2 (0.43) ADRB2ADRB1AOC3CYP3A4CYP2D6
SCHEMBL22911512 0.81 ADRB2 (0.43) ADRB2ADRB1AOC3CYP3A4CYP2D6
SCHEMBL9746507 0.81 ADRB2 (0.43) ADRB2ADRB1AOC3CYP3A4CYP2D6
SCHEMBL9737175 0.81 GABRA1 (0.43) CYP3A4CYP2D6NFKB1CYP1A2PNMT
SCHEMBL24725717 0.80 ADRB2 (0.46) ADRB2ADRB1AOC3CYP3A4CYP2D6
SCHEMBL17069234 0.80 TSHR (0.50) ADRB2ADRB1AOC3CYP3A4CYP2D6
SCHEMBL12204154 0.79 ADRB2 (0.48) ADRB2ADRB1AOC3CYP3A4CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2024-06-25 US disclosed
US-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-09-28 US disclosed
US-20230293518-A1 SUBSTITUTED PYRIDAZINONES FOR USE IN THE TREATMENT OF NEUROMUSCULAR DISEASES EDGEWISE THERAPEUTICS, INC. 2023-09-21 US disclosed
US-20230130470-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS ALCON INC. (CH) 2023-04-27 US disclosed
US-20230021224-A1 METHODS AND COMPOSITIONS OF INHIBITING DCN1-UBC12 INTERACTION MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2023-01-19 US disclosed
US-11332463-B2 Spiropiperidine allosteric modulators of nicotinic acetylcholine receptors MERCK SHARP & DOHME CORP. (US) 2022-05-17 US disclosed
US-20220017541-A1 INHIBITORS OF ARGINASE Praxis Biotech LLC 2022-01-20 US disclosed
US-11191762-B2 Alkyl substituted triazole compounds as agonists of the APJ Receptor AMGEN INC. (US) 2021-12-07 US disclosed
US-11116757-B2 Methods and compositions of inhibiting DCN1-UBC12 interaction MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2021-09-14 US disclosed
EP-3380471-B1 TETRAHYDRO-8H-PYRIDO[1,2-A]PYRAZINE-8-ONES AS COMT INHIBITORS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS LIEBER INST INC DBA LIEBER INST FOR BRAIN DEVELOPMENT (US) 2021-09-08 EP disclosed
US-20170320860-A1 HETEROCYCLIC TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2017-11-09 US disclosed
US-9738642-B2 Triazolopyridine ether derivatives and their use in neurological and pyschiatric disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-22 US disclosed
US-20160002172-A1 PHENYLPYRAZOLE DERIVATIVES AS POTENT ROCK1 AND ROCK2 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2016-01-07 US disclosed
US-8420689-B2 Cannabinoid receptor ligands, pharmaceutical compositions containing them, and process for their preparation GLENMARK PHARMACEUTICALS S.A. (CH) 2013-04-16 US disclosed
US-20120142748-A1 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS S.A. (CH) 2012-06-07 US disclosed
US-20120142748-A1 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS S.A. (CH) 2012-06-07 US disclosed
US-7923465-B2 CB2 agonists; pain, neurodegenative disorders, eating disorders, weight loss or control, obesity, dyslipidemia, drug abuse, vision defect, neurodegenerative diseases; 5-(2,4-difluorophenyl)-4,5-diazatricyclo[5.2.1.0.sup.2,6.]deca-2-(6),3-dien-3-yl-phenylmethanone; antiinflammatory agent, antidepressant GLENMARK PHARMACEUTICALS S.A. (CH) 2011-04-12 US disclosed
US-7923465-B2 CB2 agonists; pain, neurodegenative disorders, eating disorders, weight loss or control, obesity, dyslipidemia, drug abuse, vision defect, neurodegenerative diseases; 5-(2,4-difluorophenyl)-4,5-diazatricyclo[5.2.1.0.sup.2,6.]deca-2-(6),3-dien-3-yl-phenylmethanone; antiinflammatory agent, antidepressant GLENMARK PHARMACEUTICALS S.A. (CH) 2011-04-12 US disclosed
US-20080234259-A1 Novel Cannabinoid Receptor Ligands, Pharmaceutical Compositions Containing Them, and Process For Their Preparation GLENMARK PHARMACEUTICALS S.A. (CH) 2008-09-25 US disclosed
US-20080234259-A1 Novel Cannabinoid Receptor Ligands, Pharmaceutical Compositions Containing Them, and Process For Their Preparation GLENMARK PHARMACEUTICALS S.A. (CH) 2008-09-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF CYP51A1, CYP4F11, WEE1 ADRB2 2931/4885ADRB1 1875/4885AOC3 3970/4885
US-20120142748-A1 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION CNR1, CNR2, GPR18 ADRB2 61/4885ADRB1 63/4885AOC3 4180/4885
US-11332463-B2 Spiropiperidine allosteric modulators of nicotinic acetylcholine receptors CHRNA7, CHRNA5, CHRNA6 ADRB2 27/4885ADRB1 23/4885AOC3 2052/4885
US-20220017541-A1 INHIBITORS OF ARGINASE ARG1, ARG2, ARGLU1 ADRB2 2825/4885ADRB1 1665/4885AOC3 238/4885
US-20230293518-A1 SUBSTITUTED PYRIDAZINONES FOR USE IN THE TREATMENT OF NEUROMUSCULAR DISEASES IL6, MUSK, SMN1; SMN2 ADRB2 916/4885ADRB1 348/4885AOC3 1719/4885
US-11191762-B2 Alkyl substituted triazole compounds as agonists of the APJ Receptor AGTR1, AGTR2, APLNR ADRB2 17/4885ADRB1 9/4885AOC3 2677/4885
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK ADRB2 3165/4885ADRB1 2785/4885AOC3 3632/4885
US-20230021224-A1 METHODS AND COMPOSITIONS OF INHIBITING DCN1-UBC12 INTERACTION UBQLN1, CUL1, DCUN1D1 ADRB2 4538/4885ADRB1 3455/4885AOC3 1034/4885
US-11116757-B2 Methods and compositions of inhibiting DCN1-UBC12 interaction UBQLN1, CUL1, DCUN1D1 ADRB2 4538/4885ADRB1 3455/4885AOC3 1034/4885
US-20160002172-A1 PHENYLPYRAZOLE DERIVATIVES AS POTENT ROCK1 AND ROCK2 INHIBITORS ROCK1, ROCK2, MYLK ADRB2 818/4885ADRB1 983/4885AOC3 3514/4885
US-20230130470-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS UACA, HRAS, MYLK ADRB2 3165/4885ADRB1 2785/4885AOC3 3632/4885
US-20170320860-A1 HETEROCYCLIC TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR TBXA2R, APLNR, AGTR1 ADRB2 19/4885ADRB1 8/4885AOC3 2287/4885
US-20080234259-A1 Novel Cannabinoid Receptor Ligands, Pharmaceutical Compositions Containing Them, and Process For Their Preparation CNR2, CNR1, OPRL1 ADRB2 273/4885ADRB1 257/4885AOC3 4673/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.