SCHEMBL4832103

SCHEMBL4832103

CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)nc(N3CCOCC3)n2c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
CYP1A2 P05177 7/20 0.42
ALDH1A1 P00352 7/20 0.42
CASP1 P29466 7/20 0.42
CASP7 P55210 7/20 0.42
HIF1A Q16665 5/20 0.42
CYP2C9 P11712 4/20 0.42
CYP3A4 P08684 2/20 0.42
CNR1 P21554 2/20 0.41
USP2 O75604 6/20 0.39
HSD17B10 Q99714 5/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
TSHR P16473 3/20 0.39
SLC2A1 P11166 1/20 0.38
TRPA1 O75762 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
KDM4E B2RXH2 3/20 0.38
PRKDC P78527 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
SCHEMBL4840650 0.91 CNR1 (0.42) CYP2C9CYP3A4CNR1CCNA2CDK2
SCHEMBL14003387 0.90 CNR1 (0.42) KMT2APOLBALDH1A1CYP2C9CYP3A4
SCHEMBL14003384 0.88 KMT2A (0.43) KMT2APOLBCYP1A2ALDH1A1CASP1
SCHEMBL14003401 0.84 CNR1 (0.41) CYP2C9CYP3A4CNR1CYP2C19LMNA
SCHEMBL4841505 0.84 CNR1 (0.41) POLBCYP2C9CYP3A4CNR1CYP2C19
SCHEMBL14003286 0.83 SLC2A1 (0.42) KMT2APOLBCYP1A2ALDH1A1CASP1
SCHEMBL14003402 0.82 MAPT (0.38) POLBCYP1A2ALDH1A1CASP1CASP7
SCHEMBL4840295 0.79 KDM4E (0.42) KMT2APOLBCYP1A2ALDH1A1CYP2C9
SCHEMBL14003380 0.78 CNR1 (0.38) KMT2ACYP1A2ALDH1A1CASP1CASP7
SCHEMBL4839530 0.77 CNR1 (0.44) CYP2C9CYP3A4CNR1CYP2C19

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 KMT2A 2769/4885POLB 3553/4885CYP1A2 446/4885

“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.