SCHEMBL785239

SCHEMBL785239

O=C(O)c1cc(F)c2c(c1)[C@H](N1Cc3cccc(Cl)c3C1=O)CCO2

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
RORC P51449 10/20 0.36
POLB P06746 2/20 0.35
NR1H4 Q96RI1 4/20 0.34
ALDH1A1 P00352 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
CRBN Q96SW2 1/20 0.33

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
SCHEMBL785025 1.00 MAPT (0.36) MAPTRORCPOLBNR1H4ALDH1A1
SCHEMBL784912 0.89 MAPK14 (0.40) MAPTPOLBNR1H4ALDH1A1
SCHEMBL784913 0.89 MAPK14 (0.40) MAPTPOLBNR1H4ALDH1A1
SCHEMBL876338 0.86 MAPT (0.35) MAPTPOLBALDH1A1HTR2AHTR2C
SCHEMBL784719 0.82 FABP4 (0.40) MAPTRORCPOLBNR1H4HTR2A
SCHEMBL785431 0.82 FABP4 (0.40) MAPTRORCPOLBNR1H4HTR2A
SCHEMBL785419 0.79 BDKRB1 (0.39) POLB
SCHEMBL785044 0.77 CRBN (0.42) MAPTRORCPOLBALDH1A1HTR2A
SCHEMBL484302 0.77 CRBN (0.42) MAPTRORCPOLBALDH1A1HTR2A
SCHEMBL785795 0.76 CRBN (0.42) MAPTRORCPOLBALDH1A1HTR2A

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 9 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
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
EP-2619178-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2013-07-31 EP disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO 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
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 3149/4885RORC 4667/4885POLB 3355/4885

“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.