SCHEMBL784399

SCHEMBL784399

CN(C(=O)c1ccc2c(c1)[C@H](N(C)C(=O)c1ccccc1Cl)CC2)C1CCN(c2ccncn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
TAF1 P21675 1/20 0.42
CECR2 Q9BXF3 1/20 0.42
BRD9 Q9H8M2 1/20 0.42
CCR5 P51681 1/20 0.37
RIPK1 Q13546 1/20 0.36
USP30 Q70CQ3 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
POLB P06746 1/20 0.36
GPR119 Q8TDV5 1/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34

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
SCHEMBL785154 0.89 HPGD (0.44) HPGDTSHRCCR5USP30
SCHEMBL785416 0.89 HPGD (0.44) HPGDTSHRCCR5USP30
SCHEMBL785289 0.87 ALDH1A1 (0.41) HPGDTSHRTAF1CECR2BRD9
SCHEMBL785207 0.84 TAF1 (0.43) HPGDTSHRTAF1CECR2BRD9
SCHEMBL785542 0.83 HPGD (0.44) HPGDTSHRJAK2JAK1ADORA2A
SCHEMBL785496 0.82 F10 (0.39) HPGDTSHRCCR5USP30POLB
SCHEMBL785537 0.80 F10 (0.39) HPGDTSHRCCR5ADORA2AADORA1
SCHEMBL785564 0.80 HPGD (0.41) HPGDTSHRCCR5POLB
SCHEMBL784877 0.80 F10 (0.45) CCR5USP30POLB
SCHEMBL784879 0.79 F10 (0.39) CCR5USP30POLB

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 8 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 claimed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US claimed
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
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 1082/4885TSHR 586/4885TAF1 2144/4885

“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.