SCHEMBL3772087

SCHEMBL3772087

O=C(Nc1cnccn1)N1CCN(c2nc(-c3ccccc3F)cs2)CC1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 10/20 0.62
SMN1; SMN2 Q16637 4/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
MAPT P10636 6/20 0.46
MAPK1 P28482 4/20 0.46
HTT P42858 3/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 3/20 0.46
TP53 P04637 2/20 0.46
HSD17B10 Q99714 1/20 0.44
RECQL P46063 1/20 0.44
GAA P10253 1/20 0.44
SPR P35270 1/20 0.43

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
SCHEMBL3766091 0.86 FAAH (0.69) FAAHSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL3771939 0.86 FAAH (0.63) FAAHSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL3769563 0.85 FAAH (0.60) FAAHSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL3764618 0.84 FAAH (0.63) FAAHSMN1; SMN2NPC1RAB9A
SCHEMBL3771924 0.83 FAAH (0.62) FAAHSMN1; SMN2MAPTMAPK1HTT
SCHEMBL3778304 0.80 FAAH (0.61) FAAHSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL3774639 0.79 FAAH (0.67) FAAHSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL3765881 0.79 FAAH (0.54) FAAHSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL3760999 0.78 RAB9A (0.66) FAAHSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL3274880 0.78 FAAH (0.57) FAAHMAPK1ALDH1A1

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 1/4885SMN1; SMN2 2454/4885NPC1 1078/4885

“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.