SCHEMBL803230

SCHEMBL803230

COC(=O)c1ccc2c(c1)[C@H](N(C)C(=O)CCC1CCCC1)CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 4/20 0.40
NAMPT P43490 1/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
XBP1 P17861 1/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ACHE P22303 1/20 0.38
PPM1D O15297 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
CASR P41180 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HCRTR1 O43613 3/20 0.37

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
SCHEMBL803741 0.89 NAMPT (0.45) MEN1KMT2AALDH1A1NAMPTXBP1
SCHEMBL784750 0.88 ALDH1A1 (0.40) MEN1KMT2AALDH1A1XBP1HTT
SCHEMBL784751 0.88 ALDH1A1 (0.40) MEN1KMT2AALDH1A1XBP1HTT
SCHEMBL803205 0.81 HCRTR2 (0.44) MEN1KMT2AALDH1A1KDM4EACHE
SCHEMBL876311 0.81 ACHE (0.50) KDM4EACHE
SCHEMBL803555 0.80 ACHE (0.38) MEN1KMT2AALDH1A1NAMPTXBP1
SCHEMBL13131173 0.79 ACHE (0.56) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL803696 0.78 KMT2A (0.46) MEN1KMT2AALDH1A1NAMPTCASP3
SCHEMBL803506 0.78 KMT2A (0.46) MEN1KMT2AALDH1A1NAMPTCASP3
SCHEMBL485030 0.78 ACHE (0.43) MEN1KMT2AALDH1A1KDM4EACHE

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 disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO 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 MEN1 2563/4885KMT2A 2222/4885ALDH1A1 1267/4885

“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.