SCHEMBL803542

SCHEMBL803542

COC(=O)c1ccc2c(c1)[C@H](NC(=O)C1CCc3ccccc31)CC2

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.56
MEN1 O00255 3/20 0.56
MAPT P10636 1/20 0.56
PDE4A P27815 1/20 0.53
PDE4B Q07343 1/20 0.53
PDE4C Q08493 1/20 0.53
PDE4D Q08499 1/20 0.53
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50
P2RX7 Q99572 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
PIN1 Q13526 2/20 0.44
ROCK2 O75116 1/20 0.44
HPGDS O60760 1/20 0.43
SLC5A7 Q9GZV3 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
SCHEMBL803182 0.94 KMT2A (0.53) KMT2AMEN1MAPTPDE4APDE4B
SCHEMBL803573 0.94 KMT2A (0.53) KMT2AMEN1MAPTPDE4APDE4B
SCHEMBL785568 0.87 PDE4A (0.50) KMT2AMEN1MAPTPDE4APDE4B
SCHEMBL785457 0.87 PDE4A (0.50) KMT2AMEN1MAPTPDE4APDE4B
SCHEMBL803541 0.82 PDE4A (0.59) KMT2AMEN1MAPTPDE4APDE4B
SCHEMBL803580 0.82 CA12 (0.50) KMT2AMEN1MAPTPDE4APDE4B
SCHEMBL803171 0.82 KMT2A (0.48) KMT2AMEN1MAPTPDE4APDE4B
SCHEMBL784510 0.81 HTT (0.55) KMT2AMEN1PDE4APDE4BPDE4C
SCHEMBL784842 0.81 HTT (0.55) KMT2AMEN1PDE4APDE4BPDE4C
SCHEMBL784509 0.81 HTT (0.55) KMT2AMEN1PDE4APDE4BPDE4C

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 KMT2A 2222/4885MEN1 2563/4885MAPT 3149/4885

“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.