SCHEMBL786085

SCHEMBL786085

O=C(O)c1cc(F)c2c(c1)[C@H](NC(=O)c1ccccc1Cl)CCO2

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
TAS1R3 Q7RTX0 5/20 0.40
TAS1R1 Q7RTX1 5/20 0.40
TAS1R2 Q8TE23 5/20 0.40
PYGL P06737 1/20 0.39
P2RX7 Q99572 4/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
SPTLC2 O15270 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL785920 1.00 ALDH1A1 (0.47) ALDH1A1TAS1R3TAS1R1TAS1R2PYGL
SCHEMBL2816083 0.89 ALDH1A1 (0.44) ALDH1A1TAS1R3TAS1R1TAS1R2SPTLC2
SCHEMBL803181 0.89 ALDH1A1 (0.44) ALDH1A1TAS1R3TAS1R1TAS1R2SPTLC2
SCHEMBL13190098 0.88 ALDH1A1 (0.47) ALDH1A1TAS1R3TAS1R1TAS1R2PYGL
SCHEMBL484844 0.82 ALDH1A1 (0.49) ALDH1A1TAS1R3TAS1R1TAS1R2PYGL
SCHEMBL784762 0.82 ALDH1A1 (0.52) ALDH1A1TAS1R3TAS1R1TAS1R2PYGL
SCHEMBL785599 0.82 ALDH1A1 (0.52) ALDH1A1TAS1R3TAS1R1TAS1R2PYGL
SCHEMBL784976 0.82 ALDH1A1 (0.49) ALDH1A1TAS1R3TAS1R1TAS1R2PYGL
SCHEMBL784602 0.81 ALDH1A1 (0.50) ALDH1A1TAS1R3TAS1R1TAS1R2PYGL
SCHEMBL784603 0.81 ALDH1A1 (0.50) ALDH1A1TAS1R3TAS1R1TAS1R2PYGL

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 15 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
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US 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
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 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 (3 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-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN ALDH1A1 2086/4885TAS1R3 339/4885TAS1R1 107/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN ALDH1A1 2086/4885TAS1R3 339/4885TAS1R1 107/4885
US-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 ALDH1A1 1267/4885TAS1R3 202/4885TAS1R1 75/4885

“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.