SCHEMBL785459

SCHEMBL785459

Cc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)C(NC(=O)C3CCCCC3)CC4)CC2)cc(C)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
WDR5 P61964 6/20 0.41
USP2 O75604 3/20 0.41
MAPT P10636 1/20 0.41
POLB P06746 1/20 0.40
ALDH1A1 P00352 2/20 0.40
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CNR2 P34972 1/20 0.38
ACHE P22303 1/20 0.38
HPGD P15428 3/20 0.37
F10 P00742 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL785264 0.96 TLR9 (0.41) TSHRWDR5USP2MAPTPOLB
SCHEMBL784620 0.90 WDR5 (0.42) WDR5USP2MAPTPOLBALDH1A1
SCHEMBL784022 0.89 TLR9 (0.42) WDR5POLBTLR9TLR8TLR7
SCHEMBL784304 0.89 POLB (0.42) WDR5POLBCA12CA1CA2
SCHEMBL784135 0.88 TSHR (0.44) TSHRWDR5USP2MAPTPOLB
SCHEMBL785282 0.88 ACHE (0.41) POLBTLR9TLR8TLR7CNR2
SCHEMBL784928 0.87 TLR9 (0.43) POLBTLR9TLR8TLR7CNR2
SCHEMBL784410 0.86 POLB (0.41) WDR5POLBCA12CA1CA2
SCHEMBL785020 0.86 POLB (0.38) WDR5POLBALDH1A1CA12CA1
SCHEMBL784376 0.85 F10 (0.39) WDR5POLBALDH1A1TLR9TLR8

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 3 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 claimed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US claimed
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 586/4885WDR5 2611/4885USP2 4270/4885

“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.