SCHEMBL785487

SCHEMBL785487

Cc1cc(N2CCC(N(C)C(=O)c3cc4c(cc3F)CC[C@H]4N(C(=O)c3ccc(F)cc3Cl)C(C)C)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
PDK2 Q15119 5/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GHSR Q92847 5/20 0.32
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
SMO Q99835 1/20 0.32

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
SCHEMBL785629 0.91 TAF1 (0.38) TAF1CECR2BRD9PDK2SLC6A2
SCHEMBL785016 0.85 F10 (0.39) PDK2SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL785120 0.85 TAF1 (0.38) TAF1CECR2BRD9HCRTR1HCRTR2
SCHEMBL784648 0.84 TAF1 (0.38) TAF1CECR2BRD9PDK2HCRTR1
SCHEMBL785525 0.84 TAF1 (0.42) TAF1CECR2BRD9PDK2HCRTR1
SCHEMBL785607 0.82 TAF1 (0.39) TAF1CECR2BRD9ALDH1A1TLR9
SCHEMBL784412 0.81 TAF1 (0.37) TAF1CECR2BRD9SLC6A2SLC6A4
SCHEMBL785581 0.79 TAF1 (0.40) TAF1CECR2BRD9PDK2SLC6A2
SCHEMBL784896 0.78 TLR9 (0.38) TAF1CECR2BRD9TLR9TLR8
SCHEMBL785799 0.78 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.