SCHEMBL785564

SCHEMBL785564

CN(C(=O)c1ccc2c(c1)C(N(C(=O)c1ccccc1Cl)C(C)(C)C)CC2)C1CCN(c2ccncc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
F10 P00742 3/20 0.38
BDKRB1 P46663 8/20 0.37
PDK2 Q15119 1/20 0.37
CCR5 P51681 1/20 0.36
POLB P06746 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
SCHEMBL785416 0.91 HPGD (0.44) HPGDTSHRF10BDKRB1PDK2
SCHEMBL785154 0.91 HPGD (0.44) HPGDTSHRF10BDKRB1PDK2
SCHEMBL785537 0.88 F10 (0.39) HPGDTSHRF10BDKRB1CCR5
SCHEMBL784966 0.85 CCR5 (0.38) HPGDTSHRF10BDKRB1CCR5
SCHEMBL785496 0.85 F10 (0.39) HPGDTSHRF10BDKRB1CCR5
SCHEMBL784261 0.83 ALDH1A1 (0.43) HPGDTSHRF10BDKRB1
SCHEMBL777867 0.83 ALDH1A1 (0.43) HPGDTSHRF10BDKRB1
SCHEMBL784081 0.83 ALDH1A1 (0.43) HPGDTSHRF10BDKRB1
SCHEMBL784348 0.83 F10 (0.39) F10CCR5POLB
SCHEMBL784877 0.82 F10 (0.45) F10PDK2CCR5POLB

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 586/4885F10 524/4885

“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.