SCHEMBL3837876

SCHEMBL3837876

COc1cccc(NC2CCC(O)(C#Cc3cccc(Cl)c3)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.49
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MGLL Q99685 2/20 0.40
EGFR P00533 1/20 0.39
ERBB3 P21860 1/20 0.39
GRIN2B Q13224 1/20 0.39
POLB P06746 1/20 0.38
ALDH1A1 P00352 1/20 0.38
STK10 O94804 1/20 0.38
GSK3B P49841 1/20 0.38
SLK Q9H2G2 1/20 0.38

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
SCHEMBL3837855 0.89 GRM5 (0.48) GRM5NPC1RAB9APOLBALDH1A1
SCHEMBL3839765 0.83 GRM5 (0.47) GRM5NPC1RAB9AALDH1A1
SCHEMBL3836693 0.83 GRM5 (0.47) GRM5POLB
SCHEMBL3836423 0.78 GRM5 (0.58) GRM5NPC1RAB9A
SCHEMBL3837282 0.78 GRM5 (0.58) GRM5NPC1RAB9A
SCHEMBL3836422 0.78 GRM5 (0.58) GRM5NPC1RAB9A
SCHEMBL5130933 0.77 GRM5 (0.54) GRM5NPC1RAB9AALDH1A1
SCHEMBL3835800 0.75 GRM5 (0.45) GRM5
SCHEMBL3835093 0.74 GRM5 (0.44) GRM5NPC1RAB9A
SCHEMBL3835814 0.73 GRM5 (0.50) GRM5POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1877367-B1 ACETYLENE DERIVATIVES NOVARTIS AG (CH) 2009-10-14 EP claimed
EP-1877367-B1 ACETYLENE DERIVATIVES NOVARTIS AG (CH) 2009-10-14 EP disclosed
US-20080194551-A1 Acetylene Derivatives NOVARTIS PHARMA GMBH (AT) 2008-08-14 US disclosed
EP-1877367-A1 ACETYLENE DERIVATIVES Novartis AG (US) 2008-01-16 EP disclosed
WO-2006114264-A1 ACETYLENE DERIVATIVES NOVARTIS AG (CH) 2006-11-02 WO 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-20080194551-A1 Acetylene Derivatives NAT1, B3GNT2, NAT10 GRM5 3731/4885NPC1 211/4885RAB9A 2841/4885

“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.