SCHEMBL803576

SCHEMBL803576

COC(=O)c1ccc2c(c1)[C@H](N(C)C(=O)c1ccccc1C)CC2

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
SPR P35270 1/20 0.40
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
ACHE P22303 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.37
HCRTR2 O43614 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TRPA1 O75762 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
DRD3 P35462 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
SCHEMBL13131593 0.88 HPGD (0.46) LMNASPRMEN1MAPTKMT2A
SCHEMBL803190 0.88 HPGD (0.46) LMNASPRMEN1MAPTKMT2A
SCHEMBL785072 0.88 SPR (0.41) SPRKMT2AACHETRPM8ALDH1A1
SCHEMBL785415 0.88 SPR (0.41) SPRKMT2AACHETRPM8ALDH1A1
SCHEMBL803728 0.86 TRPM8 (0.39) LMNATP53MEN1MAPTKMT2A
SCHEMBL803197 0.86 LMNA (0.40) LMNATP53MEN1MAPTKMT2A
SCHEMBL803175 0.84 LMNA (0.39) LMNATP53MEN1MAPTKMT2A
SCHEMBL803203 0.83 MGLL (0.38) LMNAMEN1MAPTKMT2AACHE
SCHEMBL803547 0.80 ALOX15 (0.37) SPRMEN1MAPTKMT2AACHE
SCHEMBL803727 0.80 HPGD (0.40) ACHETRPM8ALDH1A1KDM4ENPC1

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 LMNA 1463/4885TP53 4295/4885SPR 1860/4885

“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.