SCHEMBL785280

SCHEMBL785280

COC(=O)c1cc2c(cc1F)[C@H](NC(=O)c1ccccc1Cl)CC2

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
TAS1R3 Q7RTX0 10/20 0.52
TAS1R1 Q7RTX1 10/20 0.52
TAS1R2 Q8TE23 9/20 0.52
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SPTLC2 O15270 1/20 0.43
BDKRB1 P46663 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
PDE10A Q9Y233 3/20 0.42

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
SCHEMBL785279 1.00 ALDH1A1 (0.54) ALDH1A1TAS1R3TAS1R1TAS1R2MEN1
SCHEMBL803578 0.96 ALDH1A1 (0.54) ALDH1A1TAS1R3TAS1R1TAS1R2MEN1
SCHEMBL2818576 0.96 ALDH1A1 (0.54) ALDH1A1TAS1R3TAS1R1TAS1R2MEN1
SCHEMBL2818077 0.89 ALDH1A1 (0.64) ALDH1A1TAS1R3TAS1R1TAS1R2MEN1
SCHEMBL2818079 0.89 ALDH1A1 (0.64) ALDH1A1TAS1R3TAS1R1TAS1R2MEN1
SCHEMBL785625 0.88 ALDH1A1 (0.57) ALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL785162 0.88 ALDH1A1 (0.57) ALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL784965 0.83 ALDH1A1 (0.58) ALDH1A1TAS1R3TAS1R1TAS1R2MEN1
SCHEMBL484334 0.83 ALDH1A1 (0.58) ALDH1A1TAS1R3TAS1R1TAS1R2MEN1
SCHEMBL803549 0.83 ALDH1A1 (0.58) ALDH1A1TAS1R3TAS1R1TAS1R2MEN1

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 7 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
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
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 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.