SCHEMBL784800

SCHEMBL784800

Cc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)[C@H](NC(=O)c3cccnc3C(F)(F)F)CC4)CC2)ccn1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 3/20 0.40
F10 P00742 2/20 0.37
CTSS P25774 1/20 0.37
KLKB1 P03952 2/20 0.36
SMO Q99835 2/20 0.36
F2 P00734 1/20 0.36
PLAT P00750 1/20 0.36
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
LDHA P00338 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
ACKR3 P25106 2/20 0.33
PDK2 Q15119 1/20 0.33
PDE2A O00408 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NR2F2 P24468 1/20 0.33
RAB9A P51151 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
SCHEMBL785107 0.92 WDR5 (0.37) WDR5F10CTSSSMOALDH1A1
SCHEMBL785902 0.91 CTSS (0.36) WDR5CTSSKLKB1SMOHCRTR1
SCHEMBL784462 0.90 WDR5 (0.35) WDR5CTSSKLKB1SMOACKR3
SCHEMBL784478 0.87 ALDH1A1 (0.41) WDR5F10CTSSKLKB1F2
SCHEMBL785506 0.87 TAF1 (0.38) WDR5KLKB1SMOHCRTR1HCRTR2
SCHEMBL785422 0.87 F10 (0.40) WDR5F10CTSSKLKB1SMO
SCHEMBL784592 0.86 WDR5 (0.36) WDR5KLKB1SMOHCRTR1HCRTR2
SCHEMBL785488 0.86 GBA1 (0.38) WDR5KLKB1SMOHCRTR1HCRTR2
SCHEMBL785366 0.86 WDR5 (0.38) WDR5KLKB1SMOHCRTR1HCRTR2
SCHEMBL784457 0.85 WDR5 (0.36) WDR5KLKB1SMOHCRTR1HCRTR2

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 2611/4885F10 524/4885CTSS 824/4885

“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.