SCHEMBL29454367

SCHEMBL29454367

C[C@H](NC(=O)Cn1cnc2cccc(C#N)c21)c1ccc(C(C)(C)C#N)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.58
MAPK1 P28482 1/20 0.44
GPR139 Q6DWJ6 9/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AR P10275 2/20 0.37
ENPP2 Q13822 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL308305 1.00 TRPV1 (0.58) TRPV1MAPK1GPR139CYP3A4CYP2D6
SCHEMBL306501 1.00 TRPV1 (0.58) TRPV1MAPK1GPR139CYP3A4CYP2D6
SCHEMBL306502 1.00 TRPV1 (0.58) TRPV1MAPK1GPR139CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL29454378 0.99 TRPV1 (0.57) TRPV1MAPK1GPR139CYP3A4CYP2D6
SCHEMBL2692974 0.92 TRPV1 (0.68) TRPV1MAPK1GPR139CYP3A4CYP2D6
SCHEMBL14291771 0.90 TRPV1 (0.58) TRPV1MAPK1GPR139CYP3A4CYP2D6
SCHEMBL2694475 0.89 TRPV1 (0.59) TRPV1MAPK1GPR139ARENPP2
SCHEMBL2695127 0.89 TRPV1 (0.59) TRPV1MAPK1GPR139ARENPP2
SCHEMBL307032 0.89 TRPV1 (0.66) TRPV1MAPK1GPR139CYP3A4CYP2D6
SCHEMBL306518 0.89 TRPV1 (0.58) TRPV1MAPK1GPR139CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220089550-A1 CRYSTALLINE FORMS OF (S)-2-(7-CYANO-1H-BENZIMIDAZOL-1 YL)-N-{1-[4-(1-CYANO-1-METHYLETHYL)PHENYL]ETHYL}ACETAMIDE NEOMED INSTITUTE - INSTITUT NEOMED (CA) 2022-03-24 US claimed
EP-3908574-A4 CRYSTALLINE FORMS OF (S)-2-(7-CYANO-1H-BENZIMIDAZOL-1 YL)- N-{1-[4-(1-CYANO-1-METHYLETHYL)PHENYL]ETHYL}ACETAMIDE Neomed Institute (CA) 2022-10-26 EP disclosed
US-20220089550-A1 CRYSTALLINE FORMS OF (S)-2-(7-CYANO-1H-BENZIMIDAZOL-1 YL)-N-{1-[4-(1-CYANO-1-METHYLETHYL)PHENYL]ETHYL}ACETAMIDE NEOMED INSTITUTE - INSTITUT NEOMED (CA) 2022-03-24 US disclosed
US-20220089550-A1 CRYSTALLINE FORMS OF (S)-2-(7-CYANO-1H-BENZIMIDAZOL-1 YL)-N-{1-[4-(1-CYANO-1-METHYLETHYL)PHENYL]ETHYL}ACETAMIDE NEOMED INSTITUTE - INSTITUT NEOMED (CA) 2022-03-24 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 (1 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-20220089550-A1 CRYSTALLINE FORMS OF (S)-2-(7-CYANO-1H-BENZIMIDAZOL-1 YL)-N-{1-[4-(1-CYANO-1-METHYLETHYL)PHENYL]ETHYL}ACETAMIDE ACMSD, AMY1A, ACACA TRPV1 2314/4885MAPK1 515/4885GPR139 2803/4885

“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.