SCHEMBL803680

SCHEMBL803680

O=C(OCc1ccccc1)N(Cc1ccccc1)C1CCC2(CC1)OCCO2

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 9/20 0.56
LMNA P02545 1/20 0.44
HTR2A P28223 3/20 0.42
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTGDR2 Q9Y5Y4 3/20 0.41
GCGR P47871 1/20 0.41
CCR5 P51681 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL9998686 0.91 CCR5 (0.50) C5AR1CCR5
SCHEMBL9998607 0.89 CCR5 (0.49) C5AR1CCR5
SCHEMBL15987294 0.88 C5AR1 (0.47) C5AR1CYP2C9CYP2C19ALDH1A1
SCHEMBL6356355 0.85 SIGMAR1 (0.49) C5AR1LMNACYP2C9CYP2C19CCR5
SCHEMBL19048552 0.83 C5AR1 (0.43) C5AR1CYP2C9CYP2C19PTGDR2CCR5
SCHEMBL14104472 0.82 HTR2A (0.41) C5AR1HTR2APTGDR2CCR5
SCHEMBL14104124 0.81 CCR5 (0.41) C5AR1LMNAHTR2APTGDR2CCR5
SCHEMBL4807302 0.81 PTGDR2 (0.46) HTR2APTGDR2CCR5ALDH1A1
SCHEMBL4807309 0.81 PTGDR2 (0.46) HTR2APTGDR2CCR5ALDH1A1
SCHEMBL13687103 0.80 HTR2A (0.40) C5AR1HTR2APTGDR2CCR5ALDH1A1

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 C5AR1 56/4885LMNA 1463/4885HTR2A 475/4885

“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.