SCHEMBL784480

SCHEMBL784480

CN(C(=O)c1ccc2c(c1)C(N(C)S(=O)(=O)Cc1ccccc1C(F)(F)F)CC2)C1CCN(c2ccncc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.40
F10 P00742 4/20 0.38
PDK2 Q15119 1/20 0.37
CCR5 P51681 1/20 0.36
KMT2A Q03164 1/20 0.35
MCHR1 Q99705 1/20 0.34
EPHX2 P34913 2/20 0.34
PIK3C3 Q8NEB9 1/20 0.33
SMO Q99835 1/20 0.33
CYP2C9 P11712 1/20 0.33
DRD2 P14416 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
SCHEMBL785403 0.91 EPHX2 (0.42) RORCF10PDK2EPHX2CYP2C9
SCHEMBL785628 0.86 F10 (0.37) RORCF10PDK2CCR5KMT2A
SCHEMBL2816129 0.86 CYP3A4 (0.46) RORCKMT2ACYP2C9
SCHEMBL785596 0.83 RORC (0.37) RORCF10PDK2CCR5KMT2A
SCHEMBL785209 0.82 F10 (0.37) RORCF10CCR5KMT2AEPHX2
SCHEMBL27920410 0.80 CCR5 (0.37) F10PDK2CCR5MCHR1SMO
SCHEMBL785863 0.80 F10 (0.37) RORCF10PDK2CCR5SMO
SCHEMBL784825 0.79 RBP4 (0.37) F10PDK2CCR5MCHR1SMO
SCHEMBL784012 0.79 F10 (0.36) RORCF10PDK2CCR5KMT2A
SCHEMBL785627 0.78 MCHR1 (0.41) F10CCR5MCHR1DRD2

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 5 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
CN-103097354-A Substituted benzamide compounds GRUENENTHAL CHEMIE 2013-05-08 CN claimed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US claimed
CN-103097354-A Substituted benzamide compounds GRUENENTHAL CHEMIE 2013-05-08 CN 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 RORC 4667/4885F10 524/4885PDK2 2401/4885

“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.