SCHEMBL13891

SCHEMBL13891

Brc1cccc(C2CCCC2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.44
DRD2 P14416 1/20 0.44
HTR2A P28223 1/20 0.44
HTR7 P34969 1/20 0.44
CNR2 P34972 6/20 0.42
CHRNA7 P36544 1/20 0.41
POLB P06746 1/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
PDE9A O76083 1/20 0.36
PDE8A O60658 1/20 0.35
HRH4 Q9H3N8 1/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
PKM P14618 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL906459 0.96 HTR1A (0.41) HTR1ADRD2HTR2AHTR7CNR2
SCHEMBL30429137 0.91 IDH1 (0.36) HTR1ADRD2HTR2AHTR7CNR2
SCHEMBL9938077 0.91 IDH1 (0.36) HTR1ADRD2HTR2AHTR7CNR2
SCHEMBL23028116 0.82 HTR1A (0.53) HTR1ADRD2HTR2AHTR7CNR2
SCHEMBL24565129 0.82 HTR1A (0.53) HTR1ADRD2HTR2AHTR7CNR2
SCHEMBL13490498 0.81 DRD2 (0.44) DRD2
SCHEMBL25121130 0.80 USP7 (0.41) HTR1ADRD2PDE9A
SCHEMBL31543163 0.78 KDM1A (0.30)
SCHEMBL21815396 0.78 CHRNB4 (0.38) HTR2A
SCHEMBL22234824 0.76 CNR2 (0.37) HTR1ADRD2CNR2CHRNA7PDE8A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11793821-B2 Substituted 6-membered aryl or heteroaryl allosteric modulators of nicotinic acetylcholine receptors MERCK SHARP & DOHME LLC (US) 2023-10-24 US disclosed
CN-107567443-B Biaryl derivatives as GPR120 agonists 株式会社LG化学 2023-04-28 CN disclosed
CN-115925679-A Biaryl derivatives as GPR120 agonists 株式会社LG化学 2023-04-07 CN disclosed
EP-3239143-B1 BIARYL DERIVATIVE AS GPR120 AGONIST LG CHEMICAL LTD (KR) 2023-03-22 EP disclosed
US-20220135574-A1 BIARYL DERIVATIVE AS GPR120 AGONIST LG CHEM, LTD. (KR) 2022-05-05 US disclosed
US-11261186-B2 Biaryl derivative as GPR120 agonist LG CHEM. LTD. (KR) 2022-03-01 US disclosed
US-20210196734-A1 SUBSTITUTED 6-MEMBERED ARYL OR HETEROARYL ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS MERCK SHARP & DOHME CORP. (US) 2021-07-01 US disclosed
US-11026958-B2 Substituted 6-membered aryl or heteroaryl allosteric modulators of nicotinic acetylcholine receptors MERCK SHARP & DOHME CORP. (US) 2021-06-08 US disclosed
US-20210077511-A1 SUBSTITUTED 6-MEMBERED ARYL OR HETEROARYL ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS MERCK SHARP & DOHME CORP. (US) 2021-03-18 US disclosed
CN-105392777-B Biaryl derivatives as GPR120 agonists 株式会社LG化学 2020-09-22 CN disclosed
WO-2011041462-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
EP-2276759-A1 3-INDAZOLYL-4-PYRIDYLISOTHIAZOLES Eli Lilly & Company (US) 2011-01-26 EP disclosed
CN-101959883-A 3-indazolyl-4-pyridylisothiazoles LILLY CO ELI 2011-01-26 CN disclosed
US-20090253750-A1 3-INDAZOLYL-4-PYRIDYLISOTHIAZOLES ELI LILLY AND COMPANY 2009-10-08 US disclosed
WO-2009123855-A1 3-INDAZOLYL-4-PYRIDYLISOTHIAZOLES ELI LILLY AND COMPANY (US) 2009-10-08 WO disclosed
EP-1383768-B1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2006-09-06 EP disclosed
US-7030128-B2 Central nervous system disorders; anxiolytic agents; anticonvulsants; cognition activators; side effect reduction MERCK SHARP & DOHME LTD. (GB) 2006-04-18 US disclosed
US-20040092533-A1 Imidazo-pyrimidine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2004-05-13 US disclosed
EP-1383768-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2004-01-28 EP disclosed
WO-2002076983-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2002-10-03 WO 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 (8 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-11793821-B2 Substituted 6-membered aryl or heteroaryl allosteric modulators of nicotinic acetylcholine receptors CHRNA7, CHRNA6, CHRNA5 HTR1A 105/4885DRD2 133/4885HTR2A 119/4885
US-20090253750-A1 3-INDAZOLYL-4-PYRIDYLISOTHIAZOLES CYP3A4, IPO4, JAK3 HTR1A 1931/4885DRD2 2710/4885HTR2A 1922/4885
US-20220135574-A1 BIARYL DERIVATIVE AS GPR120 AGONIST GPR119, GLP1R, GIPR HTR1A 1517/4885DRD2 1804/4885HTR2A 1214/4885
US-20040092533-A1 Imidazo-pyrimidine derivatives as ligands for gaba receptors GABRA3, GABRA1, GABRA4 HTR1A 89/4885DRD2 162/4885HTR2A 129/4885
US-11026958-B2 Substituted 6-membered aryl or heteroaryl allosteric modulators of nicotinic acetylcholine receptors CHRNA7, CHRNA6, CHRNA5 HTR1A 127/4885DRD2 144/4885HTR2A 142/4885
US-20210196734-A1 SUBSTITUTED 6-MEMBERED ARYL OR HETEROARYL ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA7, CHRNA6, CHRNA5 HTR1A 105/4885DRD2 133/4885HTR2A 119/4885
US-20210077511-A1 SUBSTITUTED 6-MEMBERED ARYL OR HETEROARYL ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA7, CHRNA6, CHRNA5 HTR1A 92/4885DRD2 123/4885HTR2A 121/4885
US-11261186-B2 Biaryl derivative as GPR120 agonist GPR119, GPR88, FFAR1 HTR1A 700/4885DRD2 1622/4885HTR2A 643/4885

“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.