SCHEMBL785472

SCHEMBL785472

Cc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)[C@H](NC(=O)c3cc(C)on3)CC4)CC2)nc(C)n1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
TAF1 P21675 1/20 0.39
CECR2 Q9BXF3 1/20 0.39
BRD9 Q9H8M2 1/20 0.39
MLLT3 P42568 1/20 0.38
MLLT1 Q03111 1/20 0.38
WDR5 P61964 11/20 0.38
DHODH Q02127 1/20 0.37
POLB P06746 1/20 0.36
CSF1R P07333 1/20 0.35
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35

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
SCHEMBL783975 0.87 TSHR (0.40) TSHRTAF1CECR2BRD9MLLT3
SCHEMBL784645 0.87 WDR5 (0.38) TAF1CECR2BRD9WDR5
SCHEMBL784251 0.85 TAF1 (0.41) TAF1CECR2BRD9WDR5
SCHEMBL785105 0.85 TSHR (0.47) TSHRMLLT3MLLT1WDR5DHODH
SCHEMBL785143 0.85 TSHR (0.45) TSHRMLLT3MLLT1WDR5DHODH
SCHEMBL784135 0.84 TSHR (0.44) TSHRTAF1CECR2BRD9WDR5
SCHEMBL784161 0.84 ALDH1A1 (0.41) TSHRTAF1CECR2BRD9WDR5
SCHEMBL785424 0.84 TAF1 (0.40) TAF1CECR2BRD9WDR5TLR9
SCHEMBL785770 0.84 USP2 (0.40) TSHRTAF1CECR2BRD9WDR5
SCHEMBL27920403 0.83 CA12 (0.41) TAF1CECR2BRD9WDR5TLR9

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 8 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-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
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 586/4885TAF1 2144/4885CECR2 888/4885

“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.