SCHEMBL785393

SCHEMBL785393

O=C(CCC1CCCC1)NC1CCc2ccc(C(=O)O)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.43
DHODH Q02127 6/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TAOK3 Q9H2K8 1/20 0.40
NAMPT P43490 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 2/20 0.39
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL785456 1.00 HPGD (0.43) HPGDDHODHL3MBTL1ALDH1A1KMT2A
SCHEMBL785411 0.88 NAMPT (0.49) HPGDDHODHL3MBTL1ALDH1A1KMT2A
SCHEMBL785515 0.88 NAMPT (0.49) HPGDDHODHL3MBTL1ALDH1A1KMT2A
SCHEMBL803506 0.87 KMT2A (0.46) HPGDDHODHL3MBTL1ALDH1A1KMT2A
SCHEMBL803696 0.87 KMT2A (0.46) HPGDDHODHL3MBTL1ALDH1A1KMT2A
SCHEMBL877913 0.83 KDM4E (0.47) HPGD
SCHEMBL785145 0.79 HTR1A (0.48) ALDH1A1MAPTTAOK3HTT
SCHEMBL785755 0.79 HTR1A (0.48) ALDH1A1MAPTTAOK3HTT
SCHEMBL785068 0.79 CA12 (0.53) ALDH1A1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL785499 0.79 CA12 (0.53) ALDH1A1KMT2ACYP3A4CYP2C9CYP2C19

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 10 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
CN-103097354-A Substituted benzamide compounds GRUENENTHAL CHEMIE 2013-05-08 CN 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 HPGD 1082/4885DHODH 1180/4885L3MBTL1 1325/4885

“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.