SCHEMBL783986

SCHEMBL783986

CN(C(=O)c1ccc2c(c1)C(N(C)C(=O)CCC1CCCC1)CC2)C1CCN(c2ccncc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.42
POLB P06746 1/20 0.41
TMEM97 Q5BJF2 2/20 0.39
CCR5 P51681 1/20 0.38
MCHR1 Q99705 4/20 0.38
SIGMAR1 Q99720 1/20 0.37
CNR2 P34972 1/20 0.35
DRD2 P14416 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL785400 0.90 POLB (0.40) F10POLBTMEM97SIGMAR1CNR2
SCHEMBL785205 0.89 F10 (0.43) F10POLBTMEM97SIGMAR1CNR2
SCHEMBL785227 0.87 MEN1 (0.38) POLBTMEM97CCR5MCHR1CNR2
SCHEMBL785891 0.87 F10 (0.41) F10POLBTMEM97CCR5MCHR1
SCHEMBL785359 0.85 F10 (0.41) F10POLBTMEM97CCR5MCHR1
SCHEMBL785580 0.85 F10 (0.41) F10POLBTMEM97CCR5MCHR1
SCHEMBL784595 0.85 ALDH1A1 (0.38) F10POLBCCR5MCHR1DRD2
SCHEMBL785627 0.85 MCHR1 (0.41) F10POLBCCR5MCHR1DRD2
SCHEMBL785043 0.85 POLB (0.40) F10POLBTMEM97MCHR1SIGMAR1
SCHEMBL785635 0.84 POLB (0.44) F10POLBCCR5MCHR1CNR2

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 6 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
CN-103097354-A Substituted benzamide compounds GRUENENTHAL CHEMIE 2013-05-08 CN 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
CN-103097354-A Substituted benzamide compounds GRUENENTHAL CHEMIE 2013-05-08 CN 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 F10 524/4885POLB 3355/4885TMEM97 1341/4885

“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.