SCHEMBL4840238

SCHEMBL4840238

O=c1n(Cc2ccc(C(F)(F)F)nc2)nc2c(Br)c(Cl)ncn12

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.49
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
NR3C1 P04150 2/20 0.39
PREP P48147 1/20 0.38
EGLN1 Q9GZT9 1/20 0.37
PDE9A O76083 2/20 0.37
HSD17B13 Q7Z5P4 1/20 0.36
GRIN1 Q05586 2/20 0.35
GRIN2B Q13224 2/20 0.35
DAO P14920 1/20 0.34
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL4842112 0.87 CNR1 (0.49) CNR1CYP3A4CYP2C9CYP2C19NR3C1
SCHEMBL4836917 0.86 CNR1 (0.56) CNR1CYP3A4CYP2C9CYP2C19NR3C1
SCHEMBL4493307 0.85 CNR1 (0.49) CNR1CYP3A4CYP2C9CYP2C19NR3C1
SCHEMBL4469688 0.80 CNR1 (0.59) CNR1CYP3A4CYP2C9CYP2C19NR3C1
SCHEMBL4839971 0.79 CNR1 (0.62) CNR1CYP3A4CYP2C9CYP2C19NR3C1
SCHEMBL4842026 0.76 CNR1 (0.59) CNR1CYP3A4CYP2C9CYP2C19NR3C1
SCHEMBL4832191 0.75 CNR1 (0.70) CNR1CYP3A4CYP2C9CYP2C19NR3C1
SCHEMBL4841688 0.75 CNR1 (0.60) CNR1CYP3A4CYP2C9CYP2C19NR3C1
SCHEMBL4832435 0.74 CNR1 (0.55) CNR1CYP3A4CYP2C9CYP2C19NR3C1
SCHEMBL30813147 0.74 CNR1 (0.48) CNR1CYP3A4CYP2C9CYP2C19NR3C1

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 CNR1 1/4885CYP3A4 537/4885CYP2C9 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.