SCHEMBL17029329

SCHEMBL17029329

CCc1cccnc1C1CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 10/20 0.41
TAAR1 Q96RJ0 1/20 0.37
CHRM4 P08173 2/20 0.36
NISCH Q9Y2I1 1/20 0.36
NMT1 P30419 1/20 0.36
PTK2 Q05397 1/20 0.35
SSTR4 P31391 1/20 0.35
CHRM2 P08172 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL29210921 0.91 OPRL1 (0.44) OPRL1CHRM4NMT1CHRM2ALDH1A1
SCHEMBL13827596 0.85 GRM5 (0.41) OPRL1CHRM4NISCHNMT1
SCHEMBL20817897 0.81 OPRL1 (0.40) OPRL1
SCHEMBL20818441 0.81 KDM4E (0.41) OPRL1NMT1KDM4EALDH1A1
SCHEMBL19318462 0.81 DPP4 (0.41) OPRL1
SCHEMBL13819907 0.80 RIPK1 (0.44) OPRL1NMT1
SCHEMBL21662742 0.80 OPRL1 (0.42) OPRL1NMT1
Hydrochloric Acid SCHEMBL4795570 0.79 DPP4 (0.40) OPRL1
SCHEMBL19099076 0.79 KDM4E (0.56) OPRL1NMT1KDM4E
SCHEMBL19322920 0.78 NMT1 (0.45) NMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018115-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE LOXO ONCOLOGY, INC. 2024-01-18 US disclosed
US-11739077-B2 Small molecule inhibitors of ubiquitin specific protease 1 (USP1) and uses thereof INSILICO MEDICINE IP LIMITED (HK) 2023-08-29 US disclosed
US-20230183210-A1 SMALL MOLECULE INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 1 (USP1) AND USES THEREOF INSILICO MEDICINE IP LIMITED (HK) 2023-06-15 US disclosed
US-20230135560-A1 GEM-DISUBSTITUTED PIPERIDINE MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2023-05-04 US disclosed
EP-3275870-B1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2020-02-05 EP disclosed
EP-3329919-B1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO LLC (US) 2019-11-06 EP disclosed
EP-3275870-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS Gilead Sciences, Inc. (US) 2018-01-31 EP disclosed
US-9840481-B2 Allosteric modulators of nicotinic acetylcholine receptors MERCK SHARP & DOHME CORP. (US) 2017-12-12 US disclosed
US-20170275260-A1 ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS MERCK SHARP & DOHME CORP. (US) 2017-09-28 US disclosed
EP-2707361-B1 FUSED HETEROCYCLIC COMPOUNDS AS SODIUM CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2017-08-23 EP disclosed
US-9682998-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2017-06-20 US disclosed
US-20160362421-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2016-12-15 US disclosed
US-9115096-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-08-25 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 (6 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-20230183210-A1 SMALL MOLECULE INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 1 (USP1) AND USES THEREOF USP1, USP2, USP28 OPRL1 4678/4885TAAR1 4117/4885CHRM4 4805/4885
US-20240018115-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PIK3CA, PIK3R4, PIK3R5 OPRL1 2164/4885TAAR1 1364/4885CHRM4 557/4885
US-20230135560-A1 GEM-DISUBSTITUTED PIPERIDINE MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC1R, MC3R, MC2R OPRL1 106/4885TAAR1 344/4885CHRM4 714/4885
US-20160362421-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, CACNA1A, KCNH2 OPRL1 391/4885TAAR1 1659/4885CHRM4 295/4885
US-20170275260-A1 ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA7, CHRNA5, CHRNA6 OPRL1 39/4885TAAR1 149/4885CHRM4 17/4885
US-11739077-B2 Small molecule inhibitors of ubiquitin specific protease 1 (USP1) and uses thereof USP1, USP2, USP28 OPRL1 4678/4885TAAR1 4117/4885CHRM4 4805/4885

“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.