SCHEMBL803235

SCHEMBL803235

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 1/20 0.47
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
BDKRB1 P46663 2/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
NQO2 P16083 5/20 0.41
MTNR1A P48039 5/20 0.41
MTNR1B P49286 5/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
NOTUM Q6P988 1/20 0.39
PDK1 Q15118 2/20 0.39
PDK2 Q15119 2/20 0.39
PDK3 Q15120 2/20 0.39
PDK4 Q16654 2/20 0.39

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
SCHEMBL485026 0.91 MEN1 (0.48) KMT2AMEN1MAPTPDE4APDE4B
SCHEMBL485027 0.91 MEN1 (0.48) KMT2AMEN1MAPTPDE4APDE4B
SCHEMBL803536 0.90 KMT2A (0.49) KMT2AMEN1MAPTPDE4APDE4B
SCHEMBL784930 0.88 WDR5 (0.43) KMT2AMEN1MAPTPDE4APDE4B
SCHEMBL784931 0.88 WDR5 (0.43) KMT2AMEN1MAPTPDE4APDE4B
SCHEMBL784579 0.85 KMT2A (0.46) KMT2AMEN1MAPTPDE4APDE4B
SCHEMBL14996320 0.83 KMT2A (0.52) KMT2AMEN1MAPTPDE4APDE4B
SCHEMBL484423 0.83 KMT2A (0.47) KMT2AMEN1MAPTPDE4APDE4B
SCHEMBL484424 0.83 KMT2A (0.47) KMT2AMEN1MAPTPDE4APDE4B
SCHEMBL803558 0.81 PDE4A (0.48) KMT2AMEN1MAPTPDE4APDE4B

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.