SCHEMBL12680946

SCHEMBL12680946

Cc1nc2c(s1)CN(S(C)(=O)=O)CC2

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
KMT2A Q03164 1/20 0.46
GRM5 P41594 9/20 0.41
PDE10A Q9Y233 1/20 0.40
F10 P00742 1/20 0.36
CNR2 P34972 2/20 0.36
RAD52 P43351 1/20 0.36
RECQL P46063 1/20 0.36
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 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
SCHEMBL14907245 0.85 NPC1 (0.47) NPC1RAB9AKMT2AGRM5PDE10A
SCHEMBL12680947 0.79 NPC1 (0.55) NPC1RAB9AKMT2AGRM5CNR2
SCHEMBL19104717 0.79 CD4 (0.52) NPC1RAB9AKMT2A
SCHEMBL6210354 0.76 NPC1 (0.52) NPC1RAB9AKMT2AGRM5F10
SCHEMBL12680948 0.76 NPC1 (0.63) NPC1RAB9AKMT2AGRM5CNR2
SCHEMBL19296079 0.75 GRM5 (0.48) NPC1RAB9AKMT2AGRM5PDE10A
SCHEMBL8051769 0.74 GRM5 (0.51) NPC1RAB9AKMT2AGRM5PDE10A
SCHEMBL3536082 0.74 NPC1 (0.50) NPC1RAB9AKMT2AGRM5F10
SCHEMBL1202664 0.73 NPC1 (0.52) NPC1RAB9AKMT2AGRM5F10
SCHEMBL22993442 0.73 PDE10A (0.44) NPC1RAB9AKMT2AGRM5PDE10A

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-8273772-B2 Heteroaryl compounds as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-25 US disclosed
US-20100093689-A1 HETEROARYL COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-04-15 US disclosed
US-7645778-B2 Heteroaryl compounds as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-12 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-20100093689-A1 HETEROARYL COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS P2RY1, P2RY11, P2RY2 NPC1 1830/4885RAB9A 1636/4885KMT2A 4066/4885

“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.