SCHEMBL785108

SCHEMBL785108

COc1ccc(N2CCC(N(C)C(=O)c3ccc4c(c3)[C@H](NC(=O)c3ccccc3Cl)CC4)CC2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.44
TAS1R3 Q7RTX0 3/20 0.41
TAS1R1 Q7RTX1 3/20 0.41
SPTLC2 O15270 3/20 0.40
F10 P00742 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CTSS P25774 1/20 0.39
TAS1R2 Q8TE23 2/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
SPTLC3 Q9NUV7 1/20 0.38
HPGDS O60760 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
MCHR1 Q99705 1/20 0.36
EGFR P00533 1/20 0.36
ALK Q9UM73 1/20 0.36
SLC5A7 Q9GZV3 1/20 0.36

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
SCHEMBL784383 0.90 TAS1R3 (0.41) WDR5TAS1R3TAS1R1SPTLC2ALDH1A1
SCHEMBL784818 0.90 ALDH1A1 (0.41) WDR5TAS1R3TAS1R1SPTLC2ALDH1A1
SCHEMBL785364 0.89 TAS1R3 (0.44) TAS1R3TAS1R1SPTLC2ALDH1A1CTSS
SCHEMBL785447 0.87 ALDH1A1 (0.45) TAS1R3TAS1R1SPTLC2ALDH1A1CTSS
SCHEMBL785365 0.87 ALDH1A1 (0.42) WDR5TAS1R3TAS1R1SPTLC2ALDH1A1
SCHEMBL784823 0.86 ALDH1A1 (0.43) TAS1R3TAS1R1SPTLC2ALDH1A1CTSS
SCHEMBL784261 0.86 ALDH1A1 (0.43) TAS1R3TAS1R1SPTLC2F10ALDH1A1
SCHEMBL784081 0.86 ALDH1A1 (0.43) TAS1R3TAS1R1SPTLC2F10ALDH1A1
SCHEMBL777867 0.86 ALDH1A1 (0.43) TAS1R3TAS1R1SPTLC2F10ALDH1A1
SCHEMBL785605 0.85 ALDH1A1 (0.43) WDR5TAS1R3TAS1R1SPTLC2F10

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 WDR5 2611/4885TAS1R3 202/4885TAS1R1 75/4885

“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.