SCHEMBL785422

SCHEMBL785422

Cc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)[C@H](NC(=O)C(C)(C)F)CC4)CC2)ccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.40
WDR5 P61964 2/20 0.40
F2 P00734 1/20 0.39
PLAT P00750 1/20 0.39
KLKB1 P03952 1/20 0.39
PDK2 Q15119 3/20 0.37
MAPK1 P28482 1/20 0.36
POLB P06746 1/20 0.36
CTSS P25774 1/20 0.35
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
LDHA P00338 1/20 0.34
SMO Q99835 2/20 0.33
ACACB O00763 1/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
KCNH2 Q12809 1/20 0.33
USP30 Q70CQ3 1/20 0.33
PROKR1 Q8TCW9 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
SCHEMBL784800 0.87 WDR5 (0.40) F10WDR5F2PLATKLKB1
SCHEMBL784620 0.86 WDR5 (0.42) F10WDR5F2PLATKLKB1
SCHEMBL784804 0.85 F10 (0.41) F10WDR5F2PLATKLKB1
SCHEMBL784808 0.84 F10 (0.41) F10WDR5F2PLATKLKB1
SCHEMBL784478 0.84 ALDH1A1 (0.41) F10WDR5F2PLATKLKB1
SCHEMBL784119 0.84 F10 (0.39) F10WDR5F2PLATKLKB1
SCHEMBL784892 0.83 F10 (0.40) F10WDR5F2PLATKLKB1
SCHEMBL785143 0.83 TSHR (0.45) F10WDR5F2PLATKLKB1
SCHEMBL28802472 0.83 F10 (0.42) F10WDR5F2PLATKLKB1
SCHEMBL784767 0.83 MCHR1 (0.38) F10WDR5PDK2POLBCTSS

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 F10 524/4885WDR5 2611/4885F2 455/4885

“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.