SCHEMBL785294

SCHEMBL785294

CCN(C(=O)OC(C)(C)C)[C@@H]1CCc2ccc(C(=O)OC)cc21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 0.38
CYP1A2 P05177 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DRD3 P35462 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
BCHE P06276 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
SCHEMBL785293 1.00 ACHE (0.38) ACHECYP1A2TSHRCYP2C19SMN1; SMN2
SCHEMBL485031 0.85 ACHE (0.43) ACHECHRNB2CHRNA4MEN1MAPT
SCHEMBL485030 0.85 ACHE (0.43) ACHECHRNB2CHRNA4MEN1MAPT
SCHEMBL803170 0.84 ACHE (0.41) ACHEMAOAMAOBMEN1KMT2A
SCHEMBL883734 0.83 ACHE (0.40) ACHEMAOAMAOBBCHE
SCHEMBL803554 0.81 ACHE (0.40) ACHESMN1; SMN2MEN1KMT2A
SCHEMBL19479423 0.80 ACHE (0.40) ACHEMAOAMAOBBCHE
SCHEMBL30583404 0.80 DRD3 (0.47) ACHEDRD3MEN1MAPTKMT2A
SCHEMBL803743 0.79 DRD3 (0.36) ACHECYP1A2TSHRCYP2C19SMN1; SMN2
SCHEMBL803197 0.78 LMNA (0.40) ACHETSHRSMN1; SMN2DRD3MEN1

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 9 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
EP-2619178-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2013-07-31 EP disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO 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 ACHE 746/4885CYP1A2 1988/4885TSHR 586/4885

“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.