SCHEMBL803567

SCHEMBL803567

COC(=O)c1cc2c(cc1F)[C@H](N1Cc3cccc(Cl)c3C1=O)CC2

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
POLB P06746 4/20 0.39
ALDH1A1 P00352 2/20 0.38
CRBN Q96SW2 2/20 0.38
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
MAPK14 Q16539 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PARP1 P09874 1/20 0.35

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
SCHEMBL785746 0.88 MAPT (0.41) MAPTPOLBCRBNPARP2PARP1
SCHEMBL785549 0.88 MAPT (0.41) MAPTPOLBCRBNPARP2PARP1
SCHEMBL2820739 0.85 MAPT (0.40) MAPTPOLBALDH1A1CRBNHSP90AA1
SCHEMBL2816793 0.85 MAPT (0.40) MAPTPOLBALDH1A1CRBNHSP90AA1
SCHEMBL803744 0.85 MAPT (0.40) MAPTPOLBALDH1A1CRBNHSP90AA1
SCHEMBL785796 0.84 MAPT (0.40) MAPTALDH1A1CRBNMEN1KMT2A
SCHEMBL484526 0.84 MAPT (0.40) MAPTALDH1A1CRBNMEN1KMT2A
SCHEMBL2817339 0.84 DRD2 (0.46) MAPTPOLBALDH1A1CRBNDRD2
SCHEMBL2817341 0.84 DRD2 (0.46) MAPTPOLBALDH1A1CRBNDRD2
SCHEMBL2817755 0.84 DRD2 (0.46) MAPTPOLBALDH1A1CRBNDRD2

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-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US 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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 MAPT 3149/4885POLB 3355/4885ALDH1A1 1267/4885

“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.