SCHEMBL785478

SCHEMBL785478

CN(C(=O)c1cc(F)c2c(c1)[C@H](NC(=O)c1ccccc1Cl)CCO2)C1CCN(c2ccncc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 9/20 0.40
F10 P00742 3/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMO Q99835 2/20 0.37
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
KDM4D Q6B0I6 1/20 0.35
NPY5R Q15761 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
SCHEMBL784150 0.87 BDKRB1 (0.40) BDKRB1F10MEN1KMT2AHPGD
SCHEMBL784113 0.87 BDKRB1 (0.40) BDKRB1F10MEN1KMT2AHPGD
SCHEMBL785047 0.86 BDKRB1 (0.41) BDKRB1F10MEN1KMT2AHPGD
SCHEMBL785114 0.86 TAF1 (0.39) MEN1KMT2ASMOHPGDTSHR
SCHEMBL484455 0.82 CYP3A4 (0.47) BDKRB1MEN1KMT2ATSHR
SCHEMBL785798 0.82 F10 (0.38) BDKRB1F10MEN1KMT2A
SCHEMBL784081 0.82 ALDH1A1 (0.43) BDKRB1F10MEN1KMT2AHPGD
SCHEMBL784261 0.82 ALDH1A1 (0.43) BDKRB1F10MEN1KMT2AHPGD
SCHEMBL777867 0.82 ALDH1A1 (0.43) BDKRB1F10MEN1KMT2AHPGD
SCHEMBL785292 0.81 F10 (0.39) BDKRB1F10NPY5R

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 BDKRB1 1/4885F10 524/4885MEN1 2563/4885

“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.