SCHEMBL785115

SCHEMBL785115

CN(C(=O)c1ccc2c(c1)[C@H](NC(=O)c1ccccc1Cl)CC2)C1CCN(Cc2ccnc(N3CCCC3)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 4/20 0.40
BDKRB1 P46663 4/20 0.40
ALDH1A1 P00352 1/20 0.39
MCHR1 Q99705 3/20 0.39
CCR3 P51677 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
DRD2 P14416 3/20 0.38
DRD1 P21728 1/20 0.38
HTR1A P08908 2/20 0.38
HTR2A P28223 2/20 0.38
KCNH2 Q12809 2/20 0.38
CTSA P10619 1/20 0.37

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
SCHEMBL784890 0.89 ALDH1A1 (0.41) ALDH1A1TAS1R3TAS1R1TAS1R2DRD2
SCHEMBL784826 0.85 MEN1 (0.44) ALDH1A1TAS1R3TAS1R1TAS1R2DRD2
SCHEMBL784313 0.85 MEN1 (0.43) ALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL784608 0.85 MEN1 (0.43) ALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL784086 0.83 ALDH1A1 (0.41) ALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL785880 0.83 ALDH1A1 (0.41) ALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL784165 0.83 ALDH1A1 (0.41) ALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL803747 0.82 ALDH1A1 (0.41) ALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL785235 0.82 ALDH1A1 (0.40) ALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL785562 0.82 ALDH1A1 (0.40) ALDH1A1TAS1R3TAS1R1TAS1R2

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 ACKR3 231/4885BDKRB1 1/4885ALDH1A1 1267/4885

“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.