SCHEMBL785635

SCHEMBL785635

CN(C(=O)c1ccc2c(c1)C(N(C)C(=O)C1CCCCC1)CC2)C1CCN(c2ccncc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
CCR5 P51681 1/20 0.38
MCHR1 Q99705 1/20 0.38
F10 P00742 5/20 0.38
CNR2 P34972 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
HCRTR2 O43614 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
DRD2 P14416 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
SCHEMBL785828 0.95 MCHR1 (0.40) POLBCCR5MCHR1F10ALDH1A1
SCHEMBL785281 0.89 POLB (0.41) POLBF10CNR2PDE3BPDE3A
SCHEMBL785627 0.88 MCHR1 (0.41) POLBCCR5MCHR1F10ALDH1A1
SCHEMBL785592 0.85 CCR5 (0.39) POLBCCR5MCHR1F10ALDH1A1
SCHEMBL783986 0.84 F10 (0.42) POLBCCR5MCHR1F10CNR2
SCHEMBL784304 0.84 POLB (0.42) POLBCCR5MCHR1F10CNR2
SCHEMBL784885 0.84 TLR9 (0.42) POLBF10CNR2PDE3BPDE3A
SCHEMBL785416 0.83 HPGD (0.44) CCR5MCHR1F10HPGDTSHR
SCHEMBL785154 0.83 HPGD (0.44) CCR5MCHR1F10HPGDTSHR
SCHEMBL785580 0.83 F10 (0.41) POLBCCR5MCHR1F10HRH3

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 POLB 3355/4885CCR5 460/4885MCHR1 363/4885

“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.