SCHEMBL4843705

SCHEMBL4843705

CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)nc(Nc3cccnc3)n2c1=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
CNR1 P21554 8/20 0.39
CYP2C9 P11712 4/20 0.39
CYP2C19 P33261 4/20 0.39
CYP3A4 P08684 4/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 3/20 0.37
MAPKAPK2 P49137 1/20 0.37
P2RX3 P56373 3/20 0.37
USP2 O75604 1/20 0.37
CYP1A2 P05177 1/20 0.37
CASP7 P55210 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 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
SCHEMBL14003392 0.89 ALDH1A1 (0.41) MAPTCNR1ALDH1A1P2RX3USP2
SCHEMBL4835537 0.77 KDM4E (0.49) MAPTCNR1CYP2C9CYP3A4NPC1
SCHEMBL14003395 0.77 CNR1 (0.42) MAPTCNR1CYP2C9CYP2C19CYP3A4
SCHEMBL14003389 0.76 CNR1 (0.48) MAPTCNR1CYP2C9CYP2C19CYP3A4
SCHEMBL4838849 0.73 CNR1 (0.44) MAPTCNR1CYP2C9CYP2C19CYP3A4
SCHEMBL4832075 0.72 CNR1 (0.55) CNR1CYP2C9CYP2C19CYP3A4
SCHEMBL14003401 0.71 CNR1 (0.41) CNR1CYP2C9CYP2C19CYP3A4LMNA
SCHEMBL4840650 0.71 CNR1 (0.42) MAPTCNR1CYP2C9CYP2C19CYP3A4
SCHEMBL4841505 0.71 CNR1 (0.41) MAPTCNR1CYP2C9CYP2C19CYP3A4
SCHEMBL5815578 0.70 CNR1 (0.36) CNR1CYP2C9CYP2C19CYP3A4ALDH1A1

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 MAPT 2322/4885CNR1 1/4885CYP2C9 487/4885

“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.