SCHEMBL785977

SCHEMBL785977

CC(C)NC1CCc2cc(C(=O)O)c(F)cc21

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.37
SCN3A Q9NY46 1/20 0.36
KDM4C Q9H3R0 2/20 0.36
SRD5A2 P31213 1/20 0.35
DPP4 P27487 2/20 0.34
MAPT P10636 1/20 0.34
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL785089 0.94 ACHE (0.37) ACHESCN3AKDM4CSRD5A2DPP4
SCHEMBL803166 0.86 SCN3A (0.37) ACHESCN3AKDM4CMAPT
SCHEMBL803164 0.81 SCN3A (0.37) ACHESCN3AMAPT
SCHEMBL784272 0.76 ALDH1A1 (0.45) ACHECYP1A2
SCHEMBL883817 0.74 TAS1R3 (0.49) SMN1; SMN2
SCHEMBL803167 0.73 ACHE (0.40) ACHEKDM4ESMN1; SMN2CYP1A2
SCHEMBL877871 0.73 ACHE (0.40) ACHEKDM4ESMN1; SMN2CYP1A2
SCHEMBL785256 0.72 TSHR (0.55) MAPT
SCHEMBL785434 0.72 TSHR (0.55) MAPT
SCHEMBL878113 0.72 TAS1R3 (0.40) SMN1; SMN2

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 4 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
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
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 746/4885SCN3A 928/4885KDM4C 2027/4885

“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.