SCHEMBL785506

SCHEMBL785506

Cc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)[C@H](NC(=O)c3cccnc3C(F)(F)F)CC4)CC2)nc(C)n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAF1 P21675 2/20 0.38
CECR2 Q9BXF3 2/20 0.38
BRD9 Q9H8M2 2/20 0.38
WDR5 P61964 6/20 0.38
HCRTR1 O43613 2/20 0.37
HCRTR2 O43614 2/20 0.37
ALDH1A1 P00352 1/20 0.34
PDE2A O00408 1/20 0.34
SMO Q99835 2/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
SPR P35270 1/20 0.34
RBP4 P02753 2/20 0.34
KLKB1 P03952 1/20 0.34
ACKR3 P25106 1/20 0.33

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
SCHEMBL785488 0.93 GBA1 (0.38) WDR5HCRTR1HCRTR2ALDH1A1PDE2A
SCHEMBL784222 0.89 WDR5 (0.42) TAF1CECR2BRD9WDR5HCRTR1
SCHEMBL784592 0.88 WDR5 (0.36) WDR5HCRTR1HCRTR2ALDH1A1PDE2A
SCHEMBL784144 0.88 TAF1 (0.40) TAF1CECR2BRD9HCRTR1HCRTR2
SCHEMBL785424 0.88 TAF1 (0.40) TAF1CECR2BRD9WDR5ALDH1A1
SCHEMBL784251 0.88 TAF1 (0.41) TAF1CECR2BRD9WDR5ALDH1A1
SCHEMBL785366 0.87 WDR5 (0.38) WDR5HCRTR1HCRTR2ALDH1A1SMO
SCHEMBL784800 0.87 WDR5 (0.40) WDR5HCRTR1HCRTR2ALDH1A1PDE2A
SCHEMBL785428 0.87 WDR5 (0.40) TAF1CECR2BRD9WDR5ALDH1A1
SCHEMBL784457 0.87 WDR5 (0.36) WDR5HCRTR1HCRTR2ALDH1A1PDE2A

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 TAF1 2144/4885CECR2 888/4885BRD9 243/4885

“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.