SCHEMBL784863

SCHEMBL784863

CN(C(=O)O)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.68
HTR2A P28223 4/20 0.68
HTR2C P28335 4/20 0.68
HTR2B P41595 4/20 0.68
DRD2 P14416 3/20 0.68
OPRM1 P35372 3/20 0.65
KCNH2 Q12809 1/20 0.64
CHRM2 P08172 6/20 0.63
CHRM3 P20309 6/20 0.63
ACHE P22303 2/20 0.58
CHRM4 P08173 1/20 0.56

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
SCHEMBL3942391 0.92 CHRM4 (0.62) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL3817982 0.91 OPRM1 (0.59) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL1220330 0.91 OPRM1 (0.59) SIGMAR1HTR2AHTR2CHTR2BDRD2
Hydrochloric Acid SCHEMBL4469375 0.90 OPRM1 (0.57) SIGMAR1HTR2AHTR2CHTR2BDRD2
Hydrochloric Acid SCHEMBL4469376 0.90 OPRM1 (0.57) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL9030647 0.90 SIGMAR1 (0.67) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL11313073 0.88 SIGMAR1 (0.65) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL3593317 0.88 SIGMAR1 (0.55) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL27473621 0.88 SIGMAR1 (0.65) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL7269086 0.87 OPRM1 (0.72) SIGMAR1HTR2AHTR2CHTR2BDRD2

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 6 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
EP-0457686-B1 Novel aminopiperidine, aminopyrrolidine and aminoperhydroazepine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1994-08-03 EP disclosed
EP-0457686-A1 Novel aminopiperidine, aminopyrrolidine and aminoperhydroazepine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1991-11-21 EP 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 SIGMAR1 369/4885HTR2A 475/4885HTR2C 549/4885

“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.