SCHEMBL785094

SCHEMBL785094

CNC1CCN(Cc2cc(C)no2)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.41
SIGMAR1 Q99720 1/20 0.41
LMNA P02545 2/20 0.40
PARG Q86W56 1/20 0.38
VHL P40337 2/20 0.37
PDE10A Q9Y233 2/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
DRD3 P35462 1/20 0.36
THRB P10828 1/20 0.36
PDE1A P54750 1/20 0.35
PDE1B Q01064 1/20 0.35
PDE1C Q14123 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL31010287 0.78 HRH3 (0.54) DRD2SIGMAR1LMNAPARGVHL
SCHEMBL26952641 0.76 DRD2 (0.45) DRD2SIGMAR1LMNAPARGMEN1
SCHEMBL18942317 0.76 LMNA (0.53) DRD2SIGMAR1LMNAPARGTHRB
SCHEMBL4314062 0.75 DRD2 (0.44) DRD2SIGMAR1LMNAVHLTHRB
SCHEMBL12112155 0.75 LTA4H (0.45) LMNAPARGTHRBMEN1KMT2A
SCHEMBL15014589 0.73 DRD2 (0.37) DRD2SIGMAR1LMNAVHLCHRNB2
SCHEMBL23775544 0.73 DRD2 (0.43) DRD2SIGMAR1LMNAPARGCHRNB2
SCHEMBL12424948 0.72 DRD2 (0.36) DRD2SIGMAR1LMNAVHLCHRNB2
SCHEMBL12384701 0.71 DRD2 (0.37) DRD2SIGMAR1VHLCHRNB2CHRNB4
SCHEMBL4623779 0.70 CXCR3 (0.59) SIGMAR1LMNAMEN1KMT2A

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
EP-2857388-A1 Azoles containing sulfone Grünenthal GmbH (DE) 2015-04-08 EP 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
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US 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 DRD2 64/4885SIGMAR1 369/4885LMNA 1463/4885

“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.