SCHEMBL784935

SCHEMBL784935

Cc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)C(NC(=O)c3cc(Cl)ccc3Cl)CC4)CC2)cc(C)n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.43
CNR1 P21554 1/20 0.42
WDR5 P61964 7/20 0.41
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
F2 P00734 1/20 0.37
PLAT P00750 1/20 0.37
KLKB1 P03952 1/20 0.37
CTSS P25774 1/20 0.36
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
KCNH2 Q12809 1/20 0.35
SPR P35270 1/20 0.35
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
TAS1R2 Q8TE23 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL784193 0.93 WDR5 (0.41) F10CNR1WDR5TLR9TLR8
SCHEMBL785605 0.91 ALDH1A1 (0.43) F10CNR1WDR5TLR9TLR8
SCHEMBL784449 0.90 F10 (0.43) F10CNR1WDR5CTSS
SCHEMBL785213 0.88 WDR5 (0.41) F10CNR1WDR5TLR9TLR8
SCHEMBL785270 0.88 F10 (0.42) F10CNR1WDR5TLR9TLR8
SCHEMBL785702 0.88 F10 (0.42) F10CNR1WDR5TLR9TLR8
SCHEMBL784715 0.87 F10 (0.40) F10CNR1WDR5F2PLAT
SCHEMBL784593 0.86 F10 (0.45) F10CNR1TLR9TLR8TLR7
SCHEMBL784713 0.86 F10 (0.42) F10CNR1WDR5TLR9TLR8
SCHEMBL784852 0.86 F10 (0.38) F10CNR1WDR5TLR9TLR8

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 3 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-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 F10 524/4885CNR1 16/4885WDR5 2611/4885

“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.