SCHEMBL4649158

SCHEMBL4649158

NCc1c(N)cc(F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
TAAR1 Q96RJ0 4/20 0.37
LOXL2 Q9Y4K0 1/20 0.32
DPP4 P27487 2/20 0.31

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
SCHEMBL857045 0.85 TAAR1 (0.42) ALDH1A1TAAR1LOXL2DPP4
SCHEMBL1398129 0.77 DPP4 (0.36) TAAR1LOXL2DPP4
SCHEMBL1398120 0.76 TAAR1 (0.37) ALDH1A1TAAR1LOXL2DPP4
SCHEMBL30350528 0.74 TAAR1 (0.36) ALDH1A1TAAR1LOXL2DPP4
SCHEMBL15819889 0.74 TAAR1 (0.36) ALDH1A1TAAR1LOXL2DPP4
SCHEMBL24959625 0.74 TAAR1 (0.45) ALDH1A1TAAR1
SCHEMBL21021423 0.74 RIPK1 (0.36) ALDH1A1
SCHEMBL25417050 0.74 ALDH1A1 (0.35) ALDH1A1
SCHEMBL15819455 0.72 TAAR1 (0.65) ALDH1A1TAAR1
SCHEMBL29467951 0.72 TAAR1 (0.41) ALDH1A1TAAR1LOXL2

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-20080293749-A1 Pyrrolidine(thi)ones Substituted by Heterocyclic Substituents in The 3-Position GRUENENTHAL GMBH (DE) 2008-11-27 US disclosed
EP-1957481-A1 PYRROLIDIN(THI)ONES HETEROCYCLICALLY SUBSTITUTED IN 3-POSITION Grünenthal GmbH (DE) 2008-08-20 EP disclosed
WO-2007062817-A1 PYRROLIDIN(THI)ONES HETEROCYCLICALLY SUBSTITUTED IN 3-POSITION Grünenthal GmbH (DE) 2007-06-07 WO 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-20080293749-A1 Pyrrolidine(thi)ones Substituted by Heterocyclic Substituents in The 3-Position TPMT, MALT1, THPO ALDH1A1 2211/4885TAAR1 2287/4885LOXL2 4161/4885

“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.