SCHEMBL1630613

SCHEMBL1630613

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

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
RXFP1 Q9HBX9 2/20 0.33
ADORA2A P29274 1/20 0.33
KISS1R Q969F8 2/20 0.32
CSNK2A2 P19784 2/20 0.32
CSNK2A1 P68400 2/20 0.32
HPGD P15428 2/20 0.32
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 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
SCHEMBL1629863 0.91 OPRM1 (0.34) MEN1KMT2AKDM4EALDH1A1ADORA2A
SCHEMBL1630812 0.89 NPC1 (0.36) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL1632805 0.89 TAAR1 (0.39) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL1632239 0.88 MAPT (0.33) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL1630587 0.88 RAB9A (0.35) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL1630640 0.87 CSNK2A2 (0.33) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL1633075 0.86 ADORA2A (0.34) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL1631594 0.84 GPR84 (0.33) NPC1RAB9AADORA2AKISS1R
SCHEMBL1630790 0.84 GBA1 (0.35) NPC1RAB9AKDM4EALDH1A1ADORA2A
SCHEMBL1630361 0.83 GBA1 (0.41) NPC1RAB9AMEN1KMT2AALDH1A1

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 NPC1 4711/4885RAB9A 1811/4885MEN1 510/4885

“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.