SCHEMBL469207

SCHEMBL469207

CCC(C)c1nc(C)no1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CXCR1 P25024 1/20 0.30
CXCR2 P25025 1/20 0.30

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
SCHEMBL469194 1.00 MAPT (0.32) MAPTCYP2C9CYP2C19SMN1; SMN2HSD17B10
SCHEMBL10192262 1.00 MAPT (0.32) MAPTCYP2C9CYP2C19SMN1; SMN2HSD17B10
SCHEMBL13844342 0.85 MAPT (0.32) MAPTCYP2C9CYP2C19SMN1; SMN2HSD17B10
SCHEMBL13186805 0.85 MAPT (0.32) MAPTCYP2C9CYP2C19SMN1; SMN2HSD17B10
SCHEMBL10192259 0.83 MAPT (0.31) MAPTCYP2C9CYP2C19SMN1; SMN2HSD17B10
SCHEMBL19630893 0.83 MAPT (0.31) MAPTCYP2C9CYP2C19SMN1; SMN2HSD17B10
SCHEMBL10193024 0.80 MAPT (0.33) MAPTCYP2C9CYP2C19SMN1; SMN2HSD17B10
SCHEMBL15931976 0.78 GPR119 (0.35)
SCHEMBL10191829 0.78 GPR119 (0.35)
SCHEMBL10094577 0.78 GPR119 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3911645-B1 5-MEMBERED HETEROARYL COMPOUNDS CONTAINING A HYDROXAMATE MOIETY AND THEIR USE UNIV LILLE (FR) 2022-12-07 EP disclosed
EP-3778575-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY Calico Life Sciences LLC (US) 2021-02-17 EP disclosed
EP-3626699-A1 SSAO INHIBITOR Shandong Danhong Pharmaceutical Co., Ltd. (CN) 2020-03-25 EP disclosed
US-20140221332-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2014-08-07 US disclosed
US-20130184257-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS ARRAY BIOPHARMA, INC. 2013-07-18 US disclosed
US-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain MERCK SHARP & DOHME LLC 2012-03-15 US disclosed
US-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2012-01-19 US disclosed
US-20120004198-A1 PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS ARGUSINA INC. (US) 2012-01-05 US disclosed
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2010-10-21 US disclosed
US-20100048563-A1 SUBSTITUTED INDOLEPYRIDINIUM AS ANTI-INFECTIVE COMPOUNDS KESTELEYN BART RUDOLF ROMANIE 2010-02-25 US disclosed
US-7420056-B2 Substituted bicyclic imidazo-3-ylamine compounds GRUENENTHAL GMBH (DE) 2008-09-02 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 (7 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-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 MAPT 4011/4885CYP2C9 4126/4885CYP2C19 3755/4885
US-20120004198-A1 PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, GPR119 MAPT 2977/4885CYP2C9 2094/4885CYP2C19 1019/4885
US-20140221332-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF GRM5, GRIK5, GRM2 MAPT 4176/4885CYP2C9 3765/4885CYP2C19 3386/4885
US-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain P2RX3, P2RX1, P2RX2 MAPT 4011/4885CYP2C9 4126/4885CYP2C19 3755/4885
US-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 MAPT 4011/4885CYP2C9 4126/4885CYP2C19 3755/4885
US-20130184257-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS GPR119, GPR139, GPR180 MAPT 4850/4885CYP2C9 975/4885CYP2C19 520/4885
US-20100048563-A1 SUBSTITUTED INDOLEPYRIDINIUM AS ANTI-INFECTIVE COMPOUNDS LTC4S, CYP8B1, CYP2E1 MAPT 4868/4885CYP2C9 47/4885CYP2C19 50/4885

“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.