SCHEMBL784908

SCHEMBL784908

CN(C(=O)c1ccc2c(c1)C(NC(=O)NCc1ccccc1Cl)CC2(C)C)C1CCN(c2ccncc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
F10 P00742 4/20 0.38
KDM4E B2RXH2 1/20 0.37
CCR5 P51681 1/20 0.36
ROCK2 O75116 3/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
GNRHR P30968 2/20 0.34
KCNA5 P22460 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
SCHEMBL785135 0.89 POLB (0.39) MAPTPOLBF10KDM4ECCR5
SCHEMBL783957 0.89 TRPV1 (0.40) POLBF10CCR5JAK2JAK1
SCHEMBL785878 0.88 CTSS (0.40) MAPTPOLBF10KDM4EJAK2
SCHEMBL785132 0.87 F10 (0.38) F10CCR5ROCK2JAK2JAK1
SCHEMBL785090 0.86 BDKRB1 (0.40) F10CCR5
SCHEMBL785593 0.86 GHSR (0.40) MAPTPOLBF10KDM4ECCR5
SCHEMBL784709 0.86 F10 (0.40) F10CCR5JAK2JAK1TRPV1
SCHEMBL784692 0.85 P2RX7 (0.39) MAPTPOLBF10KDM4ECCR5
SCHEMBL785527 0.85 TRPV1 (0.38) F10JAK2JAK1TRPV1
SCHEMBL784909 0.85 F10 (0.37) F10CCR5ROCK2JAK2JAK1

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 MAPT 3149/4885POLB 3355/4885F10 524/4885

“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.