SCHEMBL3764618

SCHEMBL3764618

O=C(Nc1cccnn1)N1CCN(c2nc(-c3ccccc3F)cs2)CC1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FAAH O00519 19/20 0.63
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL3778528 0.93 FAAH (0.70) FAAHNPC1RAB9ASMN1; SMN2
SCHEMBL3771002 0.90 FAAH (0.74) FAAHSMN1; SMN2
SCHEMBL3770860 0.86 FAAH (0.68) FAAHNPC1RAB9ASMN1; SMN2
SCHEMBL3767431 0.85 FAAH (0.60) FAAHNPC1RAB9ASMN1; SMN2
SCHEMBL3772087 0.84 FAAH (0.62) FAAHNPC1RAB9ASMN1; SMN2
SCHEMBL3771933 0.83 FAAH (0.63) FAAHSMN1; SMN2
SCHEMBL3771939 0.83 FAAH (0.63) FAAHNPC1RAB9ASMN1; SMN2
SCHEMBL3270362 0.82 FAAH (0.86) FAAH
SCHEMBL3774639 0.80 FAAH (0.67) FAAHNPC1RAB9ASMN1; SMN2
SCHEMBL3760999 0.79 RAB9A (0.66) FAAHNPC1RAB9ASMN1; SMN2

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-7851473-B2 Amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-14 US disclosed
US-20080312226-A1 Amide Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US disclosed
EP-1813606-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-08-01 EP 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-20080312226-A1 Amide Compound FAAH, FAAH2, CNR2 FAAH 1/4885NPC1 1078/4885RAB9A 1416/4885

“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.