SCHEMBL784304

SCHEMBL784304

CN(C(=O)c1ccc2c(c1)C(NC(=O)C1CCCCC1)CC2)C1CCN(c2ccncc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
WDR5 P61964 6/20 0.39
ACHE P22303 1/20 0.38
CCR5 P51681 1/20 0.37
MCHR1 Q99705 1/20 0.37
F10 P00742 3/20 0.37
CTSS P25774 1/20 0.37
CNR2 P34972 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NAMPT P43490 1/20 0.36
ABL1 P00519 1/20 0.36
RIN1 Q13671 1/20 0.36

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
SCHEMBL784410 0.97 POLB (0.41) POLBCA12CA1CA2CA7
SCHEMBL785767 0.96 CTSS (0.42) POLBWDR5CCR5F10CTSS
SCHEMBL785875 0.96 MCHR1 (0.39) POLBWDR5CCR5MCHR1F10
SCHEMBL784857 0.93 CA12 (0.46) POLBCA12CA1CA2CA7
SCHEMBL784555 0.92 NAMPT (0.38) POLBCCR5MCHR1F10NPC1
SCHEMBL784957 0.92 CTSS (0.43) POLBWDR5F10CTSS
SCHEMBL785020 0.90 POLB (0.38) POLBCA12CA1CA2CA7
SCHEMBL784620 0.89 WDR5 (0.42) POLBCA12CA1CA2CA7
SCHEMBL785459 0.89 TSHR (0.41) POLBCA12CA1CA2CA7
SCHEMBL786234 0.88 CCR5 (0.40) POLBWDR5CCR5MCHR1F10

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 3 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-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 POLB 3355/4885CA12 4625/4885CA1 3936/4885

“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.