SCHEMBL785902

SCHEMBL785902

CN(C)C(=O)c1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)C(NC(=O)c3cccnc3C(F)(F)F)CC4)CC2)ccn1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.36
SMO Q99835 2/20 0.35
WDR5 P61964 2/20 0.35
MLLT3 P42568 1/20 0.34
MLLT1 Q03111 1/20 0.34
GPR6 P46095 2/20 0.34
DRD2 P14416 1/20 0.33
ACKR3 P25106 3/20 0.33
PDK2 Q15119 1/20 0.33
PDE10A Q9Y233 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
DHODH Q02127 1/20 0.32
POLB P06746 1/20 0.32
KLKB1 P03952 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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 0.91 WDR5 (0.40) CTSSSMOWDR5ACKR3PDK2
SCHEMBL785107 0.91 WDR5 (0.37) CTSSSMOWDR5GPR6ACKR3
SCHEMBL784462 0.89 WDR5 (0.35) CTSSSMOWDR5ACKR3PDK2
SCHEMBL784592 0.85 WDR5 (0.36) SMOWDR5ACKR3PDE10AHCRTR1
SCHEMBL785366 0.84 WDR5 (0.38) SMOWDR5ACKR3PDE10AHCRTR1
SCHEMBL784457 0.84 WDR5 (0.36) SMOWDR5ACKR3PDE10AHCRTR1
SCHEMBL785498 0.83 PDE4A (0.37) SMOWDR5ACKR3PDK2PDE10A
SCHEMBL785506 0.83 TAF1 (0.38) SMOWDR5ACKR3HCRTR1HCRTR2
SCHEMBL785260 0.83 WDR5 (0.35) SMOWDR5ACKR3PDE10AHCRTR1
SCHEMBL785531 0.82 WDR5 (0.38) SMOWDR5GPR6DRD2PDE10A

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 4 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-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 CTSS 824/4885SMO 4034/4885WDR5 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.