SCHEMBL4838828

SCHEMBL4838828

Cc1nc(Cl)cc2nn(Cc3ccc(C(F)(F)F)nc3)c(=O)n12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.47
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
NR3C1 P04150 2/20 0.41
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
PREP P48147 1/20 0.40
PPARD Q03181 1/20 0.39
DAO P14920 1/20 0.38
ADORA2A P29274 1/20 0.37
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36

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
SCHEMBL4838865 0.87 CNR1 (0.54) CNR1LMNANPSR1SMN1; SMN2NR3C1
SCHEMBL4491833 0.77 CNR1 (0.52) CNR1LMNANPSR1NR3C1CYP3A4
SCHEMBL4843834 0.75 CNR1 (0.62) CNR1LMNANPSR1NR3C1CYP3A4
SCHEMBL4836654 0.75 CNR1 (0.56) CNR1LMNANPSR1NR3C1CYP3A4
SCHEMBL4475339 0.75 CNR1 (0.54) CNR1LMNANPSR1SMN1; SMN2NR3C1
SCHEMBL4493006 0.74 CNR1 (0.64) CNR1LMNANPSR1NR3C1CYP3A4
SCHEMBL4491834 0.73 CNR1 (0.51) CNR1LMNANPSR1SMN1; SMN2NR3C1
SCHEMBL4790984 0.73 HTR1A (0.48) CNR1CYP3A4CYP2C9CYP2C19PREP
SCHEMBL4838798 0.72 CNR1 (0.69) CNR1LMNANPSR1NR3C1CYP3A4
SCHEMBL4832435 0.72 CNR1 (0.55) CNR1LMNANPSR1SMN1; SMN2NR3C1

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 1/4885LMNA 4614/4885NPSR1 9/4885

“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.