SCHEMBL803637

SCHEMBL803637

CC(C)(C)OC(=O)NCC1CCCN(c2ccncc2)C1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IRAK1 P51617 1/20 0.49
NAMPT P43490 1/20 0.48
PRMT5 O14744 1/20 0.47
ACACB O00763 7/20 0.47
ACACA Q13085 7/20 0.47
SUV39H2 Q9H5I1 1/20 0.46
CKS1B P61024 1/20 0.46
SKP1 P63208 1/20 0.46
SKP2 Q13309 1/20 0.46
DRD2 P14416 2/20 0.44
F10 P00742 2/20 0.44
TRPA1 O75762 1/20 0.42

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
SCHEMBL10232262 0.89 NAMPT (0.55) IRAK1NAMPTPRMT5ACACBACACA
SCHEMBL10232155 0.87 TRPA1 (0.55) IRAK1NAMPTPRMT5SUV39H2CKS1B
SCHEMBL803332 0.86 CKS1B (0.56) NAMPTACACBACACACKS1BSKP1
SCHEMBL11977739 0.83 IRAK1 (0.47) IRAK1NAMPTPRMT5ACACBACACA
SCHEMBL786220 0.82 PPARA (0.43) F10TRPA1
SCHEMBL10230218 0.81 CKS1B (0.59) NAMPTACACBACACASUV39H2CKS1B
SCHEMBL10230212 0.81 CKS1B (0.59) NAMPTACACBACACASUV39H2CKS1B
SCHEMBL11977728 0.80 IRAK1 (0.45) IRAK1NAMPTPRMT5ACACBACACA
SCHEMBL15728295 0.80 TRPA1 (0.54) NAMPTACACBACACASUV39H2CKS1B
SCHEMBL23138432 0.79 DRD2 (0.50) NAMPTACACBACACACKS1BSKP1

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 disclosed
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
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 IRAK1 567/4885NAMPT 3344/4885PRMT5 2224/4885

“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.