SCHEMBL4835527

SCHEMBL4835527

CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)nc(N(C)c3ccccn3)n2c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 11/20 0.38
CYP2C19 P33261 5/20 0.36
CYP3A4 P08684 4/20 0.36
CYP2C9 P11712 4/20 0.36
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
NOS3 P29474 1/20 0.35
PSD A5PKW4 1/20 0.35
NR1H3 Q13133 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL4832068 0.78 CNR1 (0.49) CNR1CYP2C19CYP3A4CYP2C9
SCHEMBL4835537 0.77 KDM4E (0.49) CNR1CYP3A4CYP2C9MAPTKDM4E
SCHEMBL14003392 0.73 ALDH1A1 (0.41) CNR1MAPTPSDNR1H3KDM4E
SCHEMBL4840650 0.71 CNR1 (0.42) CNR1CYP2C19CYP3A4CYP2C9MAPT
SCHEMBL14003387 0.70 CNR1 (0.42) CNR1CYP2C19CYP3A4CYP2C9MAPT
SCHEMBL4843705 0.70 MAPT (0.42) CNR1CYP2C19CYP3A4CYP2C9MAPT
SCHEMBL14003401 0.69 CNR1 (0.41) CNR1CYP2C19CYP3A4CYP2C9SMN1; SMN2
SCHEMBL4841505 0.69 CNR1 (0.41) CNR1CYP2C19CYP3A4CYP2C9MAPT
SCHEMBL4832103 0.69 KMT2A (0.44) CNR1CYP2C19CYP3A4CYP2C9MAPT
SCHEMBL14003389 0.68 CNR1 (0.48) CNR1CYP2C19CYP3A4CYP2C9MAPT

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 3 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
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 1/4885CYP2C19 380/4885CYP3A4 537/4885

“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.