SCHEMBL785528

SCHEMBL785528

Cc1cc(C(=O)N[C@@H]2CCc3ccc(C(=O)O)cc32)no1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.62
DHODH Q02127 1/20 0.47
WDR5 P61964 10/20 0.46
POLB P06746 1/20 0.46
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
MLLT3 P42568 1/20 0.43
MLLT1 Q03111 1/20 0.43
RIPK1 Q13546 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
KMT2A Q03164 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
SCHEMBL785379 1.00 TSHR (0.62) TSHRDHODHWDR5POLBPDE4A
SCHEMBL785095 0.89 TSHR (0.60) TSHRDHODHWDR5POLBPDE4A
SCHEMBL785096 0.89 TSHR (0.60) TSHRDHODHWDR5POLBPDE4A
SCHEMBL785434 0.81 TSHR (0.55) TSHRDHODHPOLBMLLT3MLLT1
SCHEMBL785256 0.81 TSHR (0.55) TSHRDHODHPOLBMLLT3MLLT1
SCHEMBL784599 0.79 HTT (0.62) PDE4APDE4BPDE4CPDE4DTAS1R3
SCHEMBL784469 0.79 HTT (0.62) PDE4APDE4BPDE4CPDE4DTAS1R3
SCHEMBL785787 0.78 PDE4A (0.48) WDR5PDE4APDE4BPDE4CPDE4D
SCHEMBL785788 0.78 PDE4A (0.48) WDR5PDE4APDE4BPDE4CPDE4D
SCHEMBL2819148 0.78 TAS1R3 (0.59) WDR5PDE4APDE4BPDE4CPDE4D

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
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
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 TSHR 586/4885DHODH 1180/4885WDR5 2611/4885

“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.