SCHEMBL4832084

SCHEMBL4832084

CC(C)Nc1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c2nn(C)c(=O)n12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 4/20 0.37
HSD17B10 Q99714 3/20 0.37
ATM Q13315 1/20 0.36
LMNA P02545 3/20 0.36
NOTUM Q6P988 1/20 0.35
HTT P42858 3/20 0.35
MAPT P10636 3/20 0.35
POLB P06746 2/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
RXFP1 Q9HBX9 2/20 0.35
NPC1 O15118 1/20 0.35
S1PR2 O95136 1/20 0.35
TDP2 O95551 1/20 0.35
S1PR4 O95977 1/20 0.35
RAF1 P04049 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
SCHEMBL4842041 0.82 PDE1A (0.38) KDM4EHSD17B10LMNAHTTPOLB
SCHEMBL14003397 0.79 MEN1 (0.37) ALDH1A1HSD17B10HTTHPGDMEN1
SCHEMBL14003391 0.78 MAPT (0.52) ALDH1A1LMNAMAPTPOLBSMN1; SMN2
SCHEMBL4836936 0.75 PDE2A (0.45) KDM4EALDH1A1HTTMAPTPOLB
SCHEMBL14003390 0.75 ALDH1A1 (0.44) KDM4EALDH1A1HSD17B10LMNAMAPT
SCHEMBL4840712 0.73 KDM1A (0.46)
SCHEMBL4840718 0.73 KDM1A (0.46)
SCHEMBL4832024 0.72 CNR1 (0.51) KDM4EALDH1A1LMNAHTTMAPT
SCHEMBL14003392 0.70 ALDH1A1 (0.41) KDM4EALDH1A1LMNAMAPTPOLB
SCHEMBL14003389 0.69 CNR1 (0.48) MAPTTHRBRAB9AGLACNR1

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
US-7452892-B2 Triazolopyrimidine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 US disclosed
US-7452892-B2 Triazolopyrimidine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 US disclosed
US-7452892-B2 Triazolopyrimidine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 US disclosed
WO-2006138734-A1 TRIAZOLOPYRIMIDINE CANNABINOID RECEPTOR 1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-28 WO disclosed
US-20060287341-A1 Triazolopyrimidine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2006-12-21 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-20060287341-A1 Triazolopyrimidine cannabinoid receptor 1 antagonists CNR1, CNR2, GPR68 KDM4E 3169/4885ALDH1A1 1549/4885HSD17B10 4366/4885

“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.