SCHEMBL784825

SCHEMBL784825

CN(C(=O)c1ccc2c(c1)C(N(C)C(=O)c1cnccc1C(F)(F)F)CC2)C1CCN(c2ccncc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 1/20 0.37
SMO Q99835 3/20 0.36
CCR5 P51681 1/20 0.36
MCHR1 Q99705 2/20 0.36
F10 P00742 3/20 0.36
PDK2 Q15119 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
SPR P35270 1/20 0.34
SLC2A1 P11166 1/20 0.34
TP53 P04637 1/20 0.34
MDM2 Q00987 1/20 0.34

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
SCHEMBL785840 0.92 SPR (0.39) RBP4SMOCCR5MCHR1F10
SCHEMBL785863 0.87 F10 (0.37) SMOCCR5F10PDK2
SCHEMBL785733 0.86 WDR5 (0.40) RBP4SMOMCHR1F10PDK2
SCHEMBL784755 0.86 WDR5 (0.40) RBP4SMOMCHR1F10PDK2
SCHEMBL785592 0.85 CCR5 (0.39) CCR5MCHR1F10POLB
SCHEMBL785627 0.84 MCHR1 (0.41) CCR5MCHR1F10POLB
SCHEMBL784879 0.84 F10 (0.39) SMOCCR5MCHR1F10POLB
SCHEMBL785316 0.83 CTSS (0.42) RBP4SMOPOLBSLC2A1
SCHEMBL785154 0.83 HPGD (0.44) CCR5MCHR1F10PDK2
SCHEMBL785416 0.83 HPGD (0.44) CCR5MCHR1F10PDK2

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 RBP4 1548/4885SMO 4034/4885CCR5 460/4885

“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.