SCHEMBL1398129

SCHEMBL1398129

NCc1c(N)cc(F)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.36
GAA P10253 1/20 0.35
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
HTR2B P41595 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
CYP3A4 P08684 1/20 0.30
LOXL2 Q9Y4K0 1/20 0.30

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
SCHEMBL30350528 0.80 TAAR1 (0.36) DPP4HTR2AHTR2CSLC6A4HTR2B
SCHEMBL15819889 0.80 TAAR1 (0.36) DPP4HTR2AHTR2CSLC6A4HTR2B
SCHEMBL4649158 0.77 ALDH1A1 (0.41) DPP4TAAR1LOXL2
SCHEMBL29912653 0.74 LMNA (0.33) DPP4TAAR1
SCHEMBL22829991 0.74 LMNA (0.33) DPP4TAAR1
SCHEMBL17048709 0.73 TAAR1 (0.54) HTR2AHTR2CSLC6A4HTR2BTAAR1
SCHEMBL29674856 0.72 ALDH1A1 (0.43) GAACYP3A4
SCHEMBL9387233 0.72 ALDH1A1 (0.43) GAACYP3A4
SCHEMBL4704877 0.72 ALDH1A1 (0.43) GAACYP3A4
SCHEMBL4929798 0.72 GAA (0.41) GAACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957481-B1 PYRROLIDIN(THI)ONES HETEROCYCLICALLY SUBSTITUTED IN 3-POSITION GRUENENTHAL GMBH (DE) 2011-03-02 EP disclosed
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 DPP4 1619/4885GAA 3966/4885HTR2A 3515/4885

“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.