SCHEMBL784128

SCHEMBL784128

CN(C(=O)c1ccc2c(c1)[C@H](NC(=O)Cc1ccccc1Cl)CC2)C1CCN(c2ccncc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.40
F10 P00742 3/20 0.39
CCR5 P51681 2/20 0.38
TRPV1 Q8NER1 1/20 0.38
RIPK1 Q13546 1/20 0.37
TAOK3 Q9H2K8 2/20 0.36
MCHR1 Q99705 1/20 0.36
TAOK1 Q7L7X3 1/20 0.36
CTSS P25774 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
WDR5 P61964 2/20 0.36
SIGMAR1 Q99720 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35

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 0.92 POLB (0.39) F10CCR5RIPK1MCHR1JAK2
SCHEMBL784554 0.89 HTR1A (0.43) F10CCR5RIPK1TAOK3MCHR1
SCHEMBL784261 0.87 ALDH1A1 (0.43) F10CTSSMEN1KMT2A
SCHEMBL777867 0.87 ALDH1A1 (0.43) F10CTSSMEN1KMT2A
SCHEMBL784081 0.87 ALDH1A1 (0.43) F10CTSSMEN1KMT2A
SCHEMBL785878 0.87 CTSS (0.40) F10TRPV1TAOK3TAOK1CTSS
SCHEMBL785136 0.86 F10 (0.38) F10CCR5RIPK1MCHR1CTSS
SCHEMBL785593 0.85 GHSR (0.40) F10CCR5TRPV1RIPK1JAK2
SCHEMBL784475 0.85 F10 (0.37) F10CCR5RIPK1MCHR1CTSS
SCHEMBL784130 0.85 F10 (0.37) F10CCR5RIPK1MCHR1CTSS

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 10 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
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
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
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 P2RX7 140/4885F10 524/4885CCR5 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.