SCHEMBL3086259

SCHEMBL3086259

c1ccc(-c2nsc(N3CCC[N]CC3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FAAH O00519 15/20 0.52
CNR2 P34972 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
DPP4 P27487 1/20 0.46

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
SCHEMBL3561081 0.94 FAAH (0.56) FAAHCNR2NPC1RAB9A
SCHEMBL2007027 0.79 FAAH (0.51) FAAHCNR2NPC1RAB9APOLB
SCHEMBL532234 0.78 FAAH (0.55) FAAHNPC1RAB9ADPP4
SCHEMBL13003027 0.78 NPC1 (0.60) FAAHNPC1RAB9A
SCHEMBL3763277 0.74 FAAH (0.73) FAAHNPC1RAB9A
SCHEMBL12244696 0.74 HRH3 (0.60) FAAHCNR2NPC1RAB9ADPP4
SCHEMBL8170423 0.73 FAAH (0.61) FAAHCNR2NPC1RAB9AMAPT
SCHEMBL3761142 0.72 CNR2 (0.59) FAAHCNR2NPC1RAB9APOLB
SCHEMBL12244801 0.72 HRH3 (0.57) FAAHCNR2NPC1RAB9ADPP4
SCHEMBL3004397 0.71 FAAH (0.91) FAAHPOLBMAPTMAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100261708-A1 Diazepane Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 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-20100261708-A1 Diazepane Compounds Which Modulate The CB2 Receptor CNR1, CNR2, BDKRB2 FAAH 64/4885CNR2 2/4885NPC1 1695/4885

“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.