SCHEMBL3770860

SCHEMBL3770860

O=C(Nc1cccnn1)N1CCN(c2nc(-c3ccccc3)cs2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.68
MAPT P10636 7/20 0.57
ALDH1A1 P00352 4/20 0.57
HTT P42858 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
RAB9A P51151 4/20 0.57
NPC1 O15118 3/20 0.57
HSD17B10 Q99714 2/20 0.56
RECQL P46063 1/20 0.54
MAPK1 P28482 5/20 0.52
ATM Q13315 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
LMNA P02545 3/20 0.52
TP53 P04637 2/20 0.52
GAA P10253 1/20 0.52

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
SCHEMBL3767431 0.91 FAAH (0.60) FAAHMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL3771933 0.88 FAAH (0.63) FAAHMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL3764618 0.86 FAAH (0.63) FAAHSMN1; SMN2RAB9ANPC1
SCHEMBL3268847 0.83 FAAH (0.68) FAAHALDH1A1
SCHEMBL3764162 0.83 FAAH (0.66) FAAHMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL3778528 0.82 FAAH (0.70) FAAHMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL3766091 0.82 FAAH (0.69) FAAHMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL3777077 0.82 FAAH (0.69) FAAHMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL3761627 0.82 FAAH (0.67) FAAHMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL3771002 0.82 FAAH (0.74) FAAHMAPTALDH1A1HTTSMN1; 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 1/4885MAPT 3805/4885ALDH1A1 353/4885

“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.