SCHEMBL4844094

SCHEMBL4844094

CN1CCC(N(C)c2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)c3nn(CCC(F)(F)F)c(=O)n23)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 3/20 0.35
MAPK14 Q16539 3/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
CNR1 P21554 8/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP3A4 P08684 4/20 0.32
CYP2C9 P11712 3/20 0.32
CYP2C19 P33261 3/20 0.32
KDM1A O60341 1/20 0.32
AXL P30530 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
GLA P06280 1/20 0.32

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
SCHEMBL4844088 0.81 MAPK11 (0.34) MAPK11MAPK14CNR1CYP3A4CYP2C9
SCHEMBL4840322 0.77 CNR1 (0.36) CNR1CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL4840707 0.75 KDM1A (0.38) NOS3NOS1NOS2CYP3A4CYP2C9
SCHEMBL4832107 0.69 CNR1 (0.46) CNR1CYP3A4CYP2C9CYP2C19POLB
SCHEMBL4832068 0.68 CNR1 (0.49) CNR1CYP3A4CYP2C9CYP2C19
SCHEMBL4835527 0.66 CNR1 (0.38) NOS3CNR1CYP3A4CYP2C9CYP2C19
SCHEMBL4832017 0.66 CNR1 (0.44) CNR1CYP3A4CYP2C9CYP2C19USP2
SCHEMBL14003402 0.66 MAPT (0.38) CNR1CYP3A4POLBMAPTUSP2
SCHEMBL4468438 0.66 CNR1 (0.41) CNR1CYP3A4CYP2C9CYP2C19
SCHEMBL4836604 0.65 CNR1 (0.48) CNR1L3MBTL1CYP3A4CYP2C9CYP2C19

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 MAPK11 2576/4885MAPK14 3317/4885NOS3 3961/4885

“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.