SCHEMBL3771933

SCHEMBL3771933

O=C(Nc1cccnn1)N1CCN(c2nc(-c3cccc(F)c3)cs2)CC1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 13/20 0.63
MAPT P10636 6/20 0.58
MAPK1 P28482 5/20 0.58
ALDH1A1 P00352 4/20 0.58
LMNA P02545 4/20 0.58
HTT P42858 3/20 0.58
TP53 P04637 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
GAA P10253 2/20 0.54
CSNK1D P48730 1/20 0.52
CSNK1E P49674 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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 0.90 FAAH (0.60) FAAHMAPTMAPK1ALDH1A1LMNA
SCHEMBL3770860 0.88 FAAH (0.68) FAAHMAPTMAPK1ALDH1A1LMNA
SCHEMBL3771002 0.86 FAAH (0.74) FAAHMAPTMAPK1ALDH1A1LMNA
SCHEMBL3771924 0.84 FAAH (0.62) FAAHMAPTMAPK1ALDH1A1LMNA
SCHEMBL3766125 0.84 FAAH (0.61) FAAHCSNK1DCSNK1E
SCHEMBL3761029 0.83 FAAH (0.63) FAAHMAPTMAPK1ALDH1A1LMNA
SCHEMBL3778528 0.83 FAAH (0.70) FAAHMAPTMAPK1ALDH1A1LMNA
SCHEMBL3764618 0.83 FAAH (0.63) FAAHSMN1; SMN2
SCHEMBL3269230 0.82 FAAH (0.86) FAAHALDH1A1CSNK1DCSNK1E
SCHEMBL3772080 0.81 FAAH (0.67) FAAHMAPTMAPK1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312226-A1 Amide Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US claimed
EP-1813606-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-08-01 EP claimed
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 3805/4885MAPK1 2636/4885

“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.