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SCHEMBL785505

SCHEMBL785505

Cc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)[C@H](NC(=O)c3c(F)cccc3Cl)CC4)CC2)nc(C)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAF1 P21675 1/20 0.38
▸ CECR2 Q9BXF3 1/20 0.38
▸ BRD9 Q9H8M2 1/20 0.38
▸ WDR5 P61964 4/20 0.36
▸ POLB P06746 1/20 0.36
▸ HTR1F P30939 1/20 0.35
▸ TAS1R3 Q7RTX0 2/20 0.35
▸ TAS1R1 Q7RTX1 2/20 0.35
▸ TAS1R2 Q8TE23 1/20 0.35
▸ AURKA O14965 1/20 0.35
▸ TLR9 Q9NR96 1/20 0.34
▸ TLR8 Q9NR97 1/20 0.34
▸ TLR7 Q9NYK1 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HCRTR1 O43613 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ RORC P51449 1/20 0.34

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
SCHEMBL785520 0.90 WDR5 (0.39) TAF1CECR2BRD9WDR5TAS1R3
SCHEMBL785424 0.88 TAF1 (0.40) TAF1CECR2BRD9WDR5TAS1R3
SCHEMBL784161 0.88 ALDH1A1 (0.41) TAF1CECR2BRD9WDR5TAS1R3
SCHEMBL785700 0.88 TAF1 (0.39) TAF1CECR2BRD9POLBAURKA
SCHEMBL784824 0.87 WDR5 (0.40) TAF1CECR2BRD9WDR5TLR9
SCHEMBL785617 0.87 WDR5 (0.41) TAF1CECR2BRD9WDR5HTR1F
SCHEMBL785616 0.85 RIPK1 (0.38) WDR5POLBHTR1FTAS1R3TAS1R1
SCHEMBL803907 0.84 TAF1 (0.39) TAF1CECR2BRD9POLBAURKA
SCHEMBL785428 0.84 WDR5 (0.40) TAF1CECR2BRD9WDR5
SCHEMBL783985 0.84 ALDH1A1 (0.48) TAF1CECR2BRD9WDR5POLB

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.