SCHEMBL17700462

SCHEMBL17700462

FC1(CN(Cc2ccccc2)Cc2ccccc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
TSHR P16473 3/20 0.41
OPRM1 P35372 3/20 0.41
OPRL1 P41146 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CNR2 P34972 1/20 0.40
CA2 P00918 1/20 0.39
AOC3 Q16853 1/20 0.39
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
NCOR2 Q9Y618 2/20 0.38
HTT P42858 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 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
SCHEMBL17700375 0.81 TSHR (0.52) ALDH1A1TSHROPRM1OPRL1KDM4E
SCHEMBL16103294 0.81 OPRM1 (0.47) ALDH1A1TSHROPRM1OPRL1KDM4E
SCHEMBL17978299 0.81 DPP7 (0.41) ALDH1A1OPRM1OPRL1KDM4ECA2
SCHEMBL12493194 0.80 HTT (0.42) ALDH1A1TSHROPRM1OPRL1KDM4E
SCHEMBL16039169 0.80 KDM4E (0.36) ALDH1A1TSHROPRM1OPRL1KDM4E
SCHEMBL17700363 0.78 ALDH1A1 (0.45) ALDH1A1TSHROPRM1OPRL1CNR2
SCHEMBL13664806 0.75 CA2 (0.40) ALDH1A1TSHROPRM1OPRL1CNR2
SCHEMBL24709871 0.75 SIGMAR1 (0.37) ALDH1A1TSHROPRM1OPRL1KDM4E
SCHEMBL134524 0.74 TSHR (0.60) ALDH1A1TSHROPRM1KDM4ECNR2
SCHEMBL19629908 0.73 CNR2 (0.43) ALDH1A1TSHROPRM1OPRL1KDM4E

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240294523-A1 HETEROCYCLIC LACTAM COMPOUND, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2024-09-05 US disclosed
WO-2022258052-A1 HETEROCYCLIC LACTAM COMPOUND, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF 劲方医药科技(上海)有限公司 2022-12-15 WO disclosed
EP-3205645-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2019-10-23 EP disclosed
US-9957251-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-01 US disclosed
EP-3031799-B1 AROMATIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-04-04 EP disclosed
US-9776962-B2 Aromatic compounds with GPR40 agonistic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-03 US disclosed
EP-3205645-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2017-08-16 EP disclosed
US-20170044132-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-02-16 US disclosed
EP-3031799-A1 AROMATIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-06-15 EP disclosed
US-20160115128-A1 AROMATIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-04-28 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 (3 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-20240294523-A1 HETEROCYCLIC LACTAM COMPOUND, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF RIPK1, RIPK4, RIPK3 ALDH1A1 4023/4885TSHR 4717/4885OPRM1 3407/4885
US-20160115128-A1 AROMATIC COMPOUND GLP1R, GPR119, GPR39 ALDH1A1 3137/4885TSHR 731/4885OPRM1 2606/4885
US-20170044132-A1 HETEROCYCLIC COMPOUND CDK19, CDK9, CDK8 ALDH1A1 3859/4885TSHR 3406/4885OPRM1 4712/4885

“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.