SCHEMBL803780

SCHEMBL803780

CNC1CCC(N(Cc2ccccc2)C(=O)OCc2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.46
HTR2A P28223 3/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.43
CCR5 P51681 3/20 0.43
SIGMAR1 Q99720 1/20 0.42
OPRM1 P35372 2/20 0.42
CSNK1A1 P48729 1/20 0.40
AGER Q15109 1/20 0.40

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
SCHEMBL4807302 0.84 PTGDR2 (0.46) PTGDR2HTR2AALDH1A1CCR5SIGMAR1
SCHEMBL4807309 0.84 PTGDR2 (0.46) PTGDR2HTR2AALDH1A1CCR5SIGMAR1
SCHEMBL20780570 0.81 HTR2A (0.65) HTR2A
SCHEMBL6202628 0.81 HTR2A (0.51) HTR2A
SCHEMBL803784 0.81 CCR5 (0.45) PTGDR2HTR2ACCR5SIGMAR1OPRM1
Encyprate SCHEMBL122353 0.80 L3MBTL1 (0.55) ALDH1A1OPRM1AGER
SCHEMBL13434086 0.80 CCR5 (0.59) ALDH1A1CCR5SIGMAR1
SCHEMBL803781 0.79 HSD11B1 (0.46) PTGDR2HTR2ACCR5SIGMAR1
SCHEMBL4964527 0.78 CCR5 (0.47) PTGDR2ALDH1A1GAACCR5SIGMAR1
SCHEMBL14104472 0.78 HTR2A (0.41) PTGDR2HTR2ATSHRCCR5SIGMAR1

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 5 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 disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO 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 PTGDR2 154/4885HTR2A 475/4885ALDH1A1 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.