SCHEMBL1629863

SCHEMBL1629863

CNC(=O)NCCN(C=O)c1ccc(-c2ccccc2C#N)nc1NCCc1cccc(F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 2/20 0.34
ADORA2A P29274 1/20 0.33
CNR1 P21554 1/20 0.33
KISS1R Q969F8 2/20 0.32
CSNK2A2 P19784 2/20 0.32
CSNK2A1 P68400 2/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
USP2 O75604 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL1630613 0.91 NPC1 (0.35) OPRM1OPRD1ADORA2AKISS1RCSNK2A2
SCHEMBL1632805 0.91 TAAR1 (0.39) ADORA2ACSNK2A2CSNK2A1KDM4EMAPT
SCHEMBL1632239 0.88 MAPT (0.33) ADORA2ACSNK2A2CSNK2A1KDM4EMAPT
SCHEMBL1630640 0.87 CSNK2A2 (0.33) ADORA2ACSNK2A2CSNK2A1KDM4EMAPT
SCHEMBL1633075 0.86 ADORA2A (0.34) ADORA2AKDM4EMAPTCASP1CASP7
SCHEMBL1630812 0.86 NPC1 (0.36) ADORA2AKDM4EMAPTALDH1A1TAAR1
SCHEMBL1630587 0.85 RAB9A (0.35) ADORA2AKDM4EMAPTALDH1A1HSD17B10
SCHEMBL1631594 0.84 GPR84 (0.33) ADORA2AKISS1RMAPTTAAR1
SCHEMBL1630790 0.84 GBA1 (0.35) ADORA2ACSNK2A2CSNK2A1KDM4EMAPT
SCHEMBL1630361 0.83 GBA1 (0.41) OPRM1OPRD1CSNK2A2CSNK2A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090012126-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-01-08 US claimed
US-7932270-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2011-04-26 US disclosed
US-20090012126-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-01-08 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-20090012126-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 OPRM1 1013/4885OPRD1 3277/4885OPRK1 2189/4885

“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.