SCHEMBL784144

SCHEMBL784144

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAF1 P21675 3/20 0.40
CECR2 Q9BXF3 3/20 0.40
BRD9 Q9H8M2 3/20 0.40
HCRTR1 O43613 3/20 0.39
HCRTR2 O43614 3/20 0.39
SPR P35270 2/20 0.36
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
SMO Q99835 2/20 0.35
RBP4 P02753 2/20 0.35
CXCR4 P61073 4/20 0.34
POLB P06746 1/20 0.33
KCNH2 Q12809 1/20 0.33
PDK2 Q15119 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
SCHEMBL784994 0.92 TAF1 (0.38) TAF1CECR2BRD9HCRTR1HCRTR2
SCHEMBL784869 0.92 TAF1 (0.37) TAF1CECR2BRD9HCRTR1HCRTR2
SCHEMBL784143 0.88 F10 (0.37) TAF1CECR2BRD9HCRTR1HCRTR2
SCHEMBL785506 0.88 TAF1 (0.38) TAF1CECR2BRD9HCRTR1HCRTR2
SCHEMBL785486 0.87 TAF1 (0.44) TAF1CECR2BRD9SPRTLR9
SCHEMBL785207 0.86 TAF1 (0.43) TAF1CECR2BRD9SPRTLR9
SCHEMBL784535 0.84 TAF1 (0.41) TAF1CECR2BRD9HCRTR1HCRTR2
SCHEMBL784648 0.84 TAF1 (0.38) TAF1CECR2BRD9HCRTR1HCRTR2
SCHEMBL785799 0.83 TAF1 (0.42) TAF1CECR2BRD9HCRTR1HCRTR2
SCHEMBL785525 0.83 TAF1 (0.42) TAF1CECR2BRD9HCRTR1HCRTR2

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.