SCHEMBL785872

SCHEMBL785872

c1ccc(CN(CCC2CCN(c3ccncc3)CC2)Cc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.46
KDM1A O60341 1/20 0.42
MAOB P27338 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
RORC P51449 3/20 0.41
LSS P48449 1/20 0.40
CHKA P35790 1/20 0.40
BDKRB1 P46663 1/20 0.40
F10 P00742 1/20 0.40
CHRM4 P08173 1/20 0.40
HRH1 P35367 1/20 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
SCHEMBL786054 0.88 ACHE (0.47) ACHEKDM1AMAOBDRD2DRD3
SCHEMBL5177805 0.79 MAPT (0.44) ACHEKDM1AMAOBHRH3DRD2
SCHEMBL22482261 0.79 KDM4E (0.46) ACHEDRD2DRD3
SCHEMBL31342496 0.75 F10 (0.44) KDM1AMAOBHRH3DRD2DRD3
SCHEMBL3440253 0.75 ACHE (0.63) ACHECHRM4
SCHEMBL785821 0.75 ACHE (0.49) ACHE
SCHEMBL785340 0.74 ALDH1A1 (0.47) ACHECHRM4
SCHEMBL15424937 0.74 KDM1A (0.50) ACHEKDM1AMAOBHRH3DRD2
SCHEMBL8355347 0.73 ACHE (0.57) ACHEKDM1AMAOB
SCHEMBL21101188 0.73 CHKA (0.50) KDM1AMAOBHRH3DRD2DRD3

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 746/4885KDM1A 1493/4885MAOB 261/4885

“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.