SCHEMBL803540

SCHEMBL803540

COC(=O)c1ccc2c(c1)C(N(C(=O)c1ccccc1Cl)C(C)(C)C)CC2

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.41
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
ABCB1 P08183 2/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 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
SCHEMBL803219 1.00 WDR5 (0.41) WDR5HPGDTSHRABCB1NPC1
SCHEMBL785729 0.89 HPGD (0.41) HPGDTSHRABCB1POLB
SCHEMBL883736 0.88 KMT2A (0.37) WDR5TAS1R3TAS1R1
SCHEMBL13131593 0.87 HPGD (0.46) WDR5HPGDTSHRNPC1POLB
SCHEMBL803190 0.87 HPGD (0.46) WDR5HPGDTSHRNPC1POLB
SCHEMBL13131594 0.85 WDR5 (0.41) WDR5HPGDTSHRNPC1POLB
SCHEMBL803508 0.84 WDR5 (0.41) WDR5HPGDTSHRNPC1POLB
SCHEMBL803189 0.84 TRPM8 (0.43) WDR5HPGDTSHRNPC1POLB
SCHEMBL484427 0.83 SLC6A2 (0.40) WDR5HPGDTSHRNPC1POLB
SCHEMBL484428 0.83 SLC6A2 (0.40) WDR5HPGDTSHRNPC1POLB

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 WDR5 2611/4885HPGD 1082/4885TSHR 586/4885

“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.