SCHEMBL785602

SCHEMBL785602

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
ACHE P22303 11/20 0.45
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
MAOA P21397 3/20 0.43
MAOB P27338 3/20 0.43
BCHE P06276 1/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40

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
SCHEMBL785601 1.00 MEN1 (0.46) MEN1MAPTKMT2AACHECHRNB2
SCHEMBL27920400 0.87 ACHE (0.58) MEN1MAPTKMT2AACHECHRNB2
SCHEMBL803477 0.87 ACHE (0.58) MEN1MAPTKMT2AACHECHRNB2
SCHEMBL784108 0.87 MAOA (0.45) ACHEMAOAMAOBBCHE
SCHEMBL803158 0.84 KMT2A (0.46) MEN1MAPTKMT2AACHECHRNB2
SCHEMBL803556 0.84 KMT2A (0.47) MEN1MAPTKMT2AACHECHRNB2
SCHEMBL2820245 0.84 KMT2A (0.47) MEN1MAPTKMT2AACHECHRNB2
SCHEMBL785397 0.83 KCNA5 (0.42) MEN1MAPTKMT2AACHECHRNB2
SCHEMBL785398 0.83 KCNA5 (0.42) MEN1MAPTKMT2AACHECHRNB2
SCHEMBL484717 0.82 CHRNB2 (0.46) MEN1MAPTKMT2AACHECHRNB2

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 8 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-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
CN-103097354-A Substituted benzamide compounds GRUENENTHAL CHEMIE 2013-05-08 CN 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
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 2563/4885MAPT 3149/4885KMT2A 2222/4885

“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.