SCHEMBL218277

SCHEMBL218277

C1=C(CCc2ccccc2)OCO1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.39
MAOB P27338 4/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
CYP2A6 P11509 1/20 0.37
HTR2A P28223 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KCNH2 Q12809 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL5807297 0.77 CYP2C19 (0.40) CYP2C19
SCHEMBL7703948 0.76 MEN1 (0.45) MAOATDP1
SCHEMBL6942518 0.73 MAOA (0.48) MAOAMAOBALDH1A1HPGDALOX15
SCHEMBL1463743 0.71 CTBP2 (0.38) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL2937880 0.71 NPSR1 (0.43) ALDH1A1HPGDTDP1SMN1; SMN2
SCHEMBL9741303 0.69 ALDH1A1 (0.69) MAOAMAOBALDH1A1HPGDALOX15
Benzene SCHEMBL3440179 0.69 ALDH1A1 (0.69) MAOAMAOBALDH1A1HPGDALOX15
SCHEMBL62125 0.69 ALDH1A1 (0.69) MAOAMAOBALDH1A1HPGDALOX15
Cyclooctane SCHEMBL18187569 0.67 SIGMAR1 (0.58) MAOAMAOBALDH1A1HPGDALOX15
SCHEMBL25403475 0.67 ALDH1A1 (0.65) MAOAMAOBALDH1A1HPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023284807-A1 COMPOUND CONTAINING TETRAHYDRONAPHTHYRIDONE OR TETRAHYDROPYRIDOPYRIMIDINONE SKELETON, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF 中国药科大学 2023-01-19 WO claimed
EP-3363788-A1 CANNABINOID RECEPTOR MODULATORS Arena Pharmaceuticals, Inc. (US) 2018-08-22 EP claimed
EP-2016078-B1 PYRROLO- AND THIAZOLO-PYRIDINE COMPOUNDS AS HIF MODULATORS FIBROGEN INC (US) 2016-06-15 EP claimed
US-8809010-B2 Method for prophylactic treatment of alzheimer's disease using inhibitors of glutaminyl cyclase and glutamate cyclases PROBIODRUG AG (DE) 2014-08-19 US claimed
US-20130165412-A1 CANNABINOID RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2013-06-27 US claimed
US-8426404-B2 e.g. 3-[1-(6-Amino-pyrimidin-4-yl)-1H-benzoimidazol-2-ylamino]-4-methyl-N-[4-(2-methyl-imidazol-1-yl)-3-trifluoromethyl-phenyl]-benzamide; receptor and non-receptor tyrosine kinases and serine/threonine kinases inhibitor; antiproliferative agent; immune and nervous system disorders NOVARTIS AG (CH) 2013-04-23 US claimed
US-8350041-B2 Tricyclic δ-opioid modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-01-08 US claimed
US-8338120-B2 Anticancer agents; therapy for infections; administering glutaminyl cyclase inhibitor such as 1-(3-(1H-imidazole-1-yl)propyl)-3-(3,4-dimethoxy-phenyl)thiourea hydrochloride; Alzheimer's disease; Down syndrome; controlling fertility; schizophrenia; skin disorders; dementia PROBIODRUG AG (DE) 2012-12-25 US claimed
EP-1758892-B1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2012-10-17 EP claimed
US-20120214766-A1 CANNABINOID RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2012-08-23 US claimed
WO-2004052854-A2 ARYL, ARYLOXY, AND ALKYLOXY SUBSTITUTED 1H-INDOL-3-YL GLYOXYLIC ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) WYETH (US) 2004-06-24 WO claimed
US-20040082577-A1 Amino methyl imidazoles as C5a receptor modulators NEUROGEN CORPORATION 2004-04-29 US claimed
US-6723743-B1 TREATING PATIENT SUFFERING FROM RHEUMATOID ARTHRITIS, PSORIASIS, BRONCHIAL ASTHMA, ALZHEIMER'S DISEASE, MYOCARDIAL INFARCTION OR ATHEROSCLEROSIS NEUROGEN CORPORATION 2004-04-20 US claimed
WO-2004018460-A1 AMINO METHYL IMIDAZOLES AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2004-03-04 WO claimed
EP-0728758-B1 Dioxopyrrolo-pyrrole derivatives HOFFMANN LA ROCHE (CH) 2003-10-15 EP claimed
US-20020103381-A1 Method for the synthesis of pyrazolines CHEMRX ADVANCED TECHNOLOGIES, INC. 2002-08-01 US claimed
EP-1218374-A1 PHARMACEUTICALLY ACTIVE SULFONAMIDE DERIVATIVES Applied Research Systems ARS Holding N.V. (AN) 2002-07-03 EP claimed
WO-2001023378-A1 PHARMACEUTICALLY ACTIVE SULFONAMIDE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-04-05 WO claimed
EP-1088821-A1 Pharmaceutically active sulfonamide derivatives Applied Research Systems ARS Holding N.V. (AN) 2001-04-04 EP claimed
EP-0728758-A1 Dioxopyrrolo-pyrrole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1996-08-28 EP claimed

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

For each of this compound's patents that has machine-readable text (4 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-20120214766-A1 CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, TRPV1 MAOA 2983/4885MAOB 2599/4885ALDH1A1 3623/4885
US-20040082577-A1 Amino methyl imidazoles as C5a receptor modulators C5AR1, C5AR2, C3AR1 MAOA 716/4885MAOB 610/4885ALDH1A1 3627/4885
US-20020103381-A1 Method for the synthesis of pyrazolines CYP2F1, CYP2E1, CYP3A7 MAOA 360/4885MAOB 249/4885ALDH1A1 223/4885
US-20130165412-A1 CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, TRPV1 MAOA 2983/4885MAOB 2599/4885ALDH1A1 3623/4885

“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.