SCHEMBL803175

SCHEMBL803175

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
SLC6A2 P23975 9/20 0.37
SLC6A4 P31645 9/20 0.37
SLC6A3 Q01959 7/20 0.37
KCNH2 Q12809 5/20 0.37
CYP2D6 P10635 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
DRD3 P35462 1/20 0.34
WDR5 P61964 1/20 0.34
DRD2 P14416 1/20 0.34

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
SCHEMBL785647 0.90 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3KCNH2KMT2A
SCHEMBL785646 0.90 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3KCNH2KMT2A
SCHEMBL803197 0.89 LMNA (0.40) LMNATP53SLC6A2SLC6A4SLC6A3
SCHEMBL803728 0.85 TRPM8 (0.39) LMNATP53CYP2D6CYP1A2CYP2C19
SCHEMBL803576 0.84 LMNA (0.40) LMNATP53KMT2AMEN1MAPT
SCHEMBL803508 0.78 WDR5 (0.41) TP53SLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL785381 0.78 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL785382 0.78 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL784639 0.78 DRD3 (0.41) SLC6A2SLC6A4SLC6A3KMT2AMEN1
SCHEMBL784638 0.78 DRD3 (0.41) SLC6A2SLC6A4SLC6A3KMT2AMEN1

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 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

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 4295/4885SLC6A2 1966/4885

“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.