SCHEMBL803188

SCHEMBL803188

COC(=O)c1ccc2c(c1)[C@H](NC(=O)c1cc(C(F)(F)F)ccc1Cl)CC2

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
CRHR1 P34998 18/20 0.45
CRHR2 Q13324 1/20 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
SCHEMBL785980 0.89 CRHR1 (0.51) PDE4APDE4BPDE4CPDE4DTAS1R3
SCHEMBL784580 0.89 CRHR1 (0.51) PDE4APDE4BPDE4CPDE4DTAS1R3
SCHEMBL803564 0.87 PDE10A (0.49) PDE4APDE4BPDE4CPDE4DTAS1R3
SCHEMBL2819704 0.87 PDE10A (0.49) PDE4APDE4BPDE4CPDE4DTAS1R3
SCHEMBL2817877 0.87 TAS1R3 (0.50) PDE4APDE4BPDE4CPDE4DTAS1R3
SCHEMBL2817878 0.87 TAS1R3 (0.50) PDE4APDE4BPDE4CPDE4DTAS1R3
SCHEMBL484334 0.83 ALDH1A1 (0.58) PDE4APDE4BPDE4CPDE4DTAS1R3
SCHEMBL784965 0.83 ALDH1A1 (0.58) PDE4APDE4BPDE4CPDE4DTAS1R3
SCHEMBL803549 0.83 ALDH1A1 (0.58) PDE4APDE4BPDE4CPDE4DTAS1R3
SCHEMBL803173 0.82 TAS1R3 (0.46) PDE4APDE4BPDE4CPDE4DTAS1R3

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 4 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-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 PDE4A 944/4885PDE4B 939/4885PDE4C 997/4885

“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.