SCHEMBL3764162

SCHEMBL3764162

O=C(Nc1ncccn1)N1CCN(c2nc(-c3ccccc3)cs2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.66
RAB9A P51151 5/20 0.61
NPC1 O15118 3/20 0.61
MAPT P10636 7/20 0.61
HTT P42858 4/20 0.61
ALDH1A1 P00352 4/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
HSD17B10 Q99714 3/20 0.60
MAPK1 P28482 5/20 0.60
TP53 P04637 3/20 0.60
LMNA P02545 3/20 0.60
ATM Q13315 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
RECQL P46063 1/20 0.55
GAA P10253 1/20 0.55

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
SCHEMBL3761627 0.85 FAAH (0.67) FAAHRAB9ANPC1MAPTHTT
SCHEMBL3771738 0.84 MAPT (0.59) FAAHRAB9ANPC1MAPTHTT
SCHEMBL3766091 0.84 FAAH (0.69) FAAHRAB9ANPC1MAPTHTT
SCHEMBL3777077 0.84 FAAH (0.69) FAAHRAB9ANPC1MAPTHTT
SCHEMBL11075592 0.83 RAB9A (0.70) FAAHRAB9ANPC1MAPTHTT
SCHEMBL3773295 0.83 FAAH (0.60) FAAHRAB9ANPC1MAPTHTT
SCHEMBL3766301 0.83 FAAH (0.65) FAAHRAB9ANPC1MAPTHTT
SCHEMBL3770860 0.83 FAAH (0.68) FAAHRAB9ANPC1MAPTHTT
SCHEMBL3761168 0.83 FAAH (0.68) FAAHRAB9ANPC1MAPTHTT
SCHEMBL3766124 0.82 MAPT (0.66) FAAHRAB9ANPC1MAPTHTT

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 1/4885RAB9A 1416/4885NPC1 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.