SCHEMBL785592

SCHEMBL785592

CN(C(=O)c1ccc2c(c1)C(N(C)C(=O)c1cncnc1)CC2)C1CCN(c2ccncc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.39
MCHR1 Q99705 2/20 0.39
F10 P00742 4/20 0.39
POLB P06746 1/20 0.39
DRD2 P14416 1/20 0.35
CYP11B2 P19099 1/20 0.35
TMEM97 Q5BJF2 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
USP30 Q70CQ3 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
SCHEMBL785627 0.90 MCHR1 (0.41) CCR5MCHR1F10POLBDRD2
SCHEMBL785813 0.89 TLR9 (0.41) F10POLBDRD2CYP11B2TMEM97
SCHEMBL785828 0.88 MCHR1 (0.40) CCR5MCHR1F10POLBDRD2
SCHEMBL784342 0.86 CTSS (0.41) MCHR1F10POLBDRD2ALDH1A1
SCHEMBL784472 0.86 CTSS (0.41) MCHR1F10POLBDRD2ALDH1A1
SCHEMBL785635 0.85 POLB (0.44) CCR5MCHR1F10POLBDRD2
SCHEMBL784825 0.85 RBP4 (0.37) CCR5MCHR1F10POLB
SCHEMBL785154 0.85 HPGD (0.44) CCR5MCHR1F10USP30
SCHEMBL785416 0.85 HPGD (0.44) CCR5MCHR1F10USP30
SCHEMBL785580 0.85 F10 (0.41) CCR5MCHR1F10POLBDRD2

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 4 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-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 CCR5 460/4885MCHR1 363/4885F10 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.