SCHEMBL8302494

SCHEMBL8302494

CN1CCC(Oc2cnccn2)CC1

nearest known ligand 0.85

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 9/20 0.55
CHRM2 P08172 1/20 0.50
CHRM1 P11229 1/20 0.50
EPHX2 P34913 1/20 0.46

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
SCHEMBL20069142 0.92 CHRM2 (0.52) NAAACHRM2CHRM1EPHX2
SCHEMBL25910599 0.84 CHRM2 (0.51) NAAACHRM2CHRM1EPHX2
SCHEMBL10672205 0.83 NAAA (0.52) NAAACHRM2CHRM1EPHX2
SCHEMBL21004227 0.83 NAAA (0.54) NAAACHRM2CHRM1EPHX2
SCHEMBL20147426 0.83 NAAA (0.52) NAAACHRM2CHRM1EPHX2
SCHEMBL20774863 0.80 CHRM2 (0.53) NAAACHRM2CHRM1EPHX2
SCHEMBL20152050 0.80 CHRM2 (0.48) NAAACHRM2CHRM1EPHX2
SCHEMBL20147457 0.80 NAAA (0.49) NAAACHRM2CHRM1EPHX2
SCHEMBL22547320 0.79 NAAA (0.48) NAAACHRM2CHRM1EPHX2
SCHEMBL21664720 0.79 CHRM2 (0.44) NAAACHRM2CHRM1EPHX2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018071454-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ANDREWS STEVEN W (US) 2018-04-19 WO disclosed
EP-2206707-B1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-07-23 EP disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-20110002992-A1 N-SULPHONYLATED AMINO ACID DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2011-01-06 US disclosed
US-20110002992-A1 N-SULPHONYLATED AMINO ACID DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2011-01-06 US disclosed
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-30 US disclosed
US-7772251-B2 N-sulphonylated amino acid derivatives, method for the production and use thereof THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2010-08-10 US disclosed
US-7772251-B2 N-sulphonylated amino acid derivatives, method for the production and use thereof THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2010-08-10 US disclosed
EP-2206707-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2010-07-14 EP disclosed
US-7511062-B2 Substituted 2-quinolyl-oxazoles useful as PDE4 inhibitors SCHERING CORPORATION (US) 2009-03-31 US disclosed
US-20070055065-A1 N-sulphonylated amino acid derivatives, method for the production and use thereof CURACYTE CHEMISTRY GMBH (DE) 2007-03-08 US disclosed
US-20070055065-A1 N-sulphonylated amino acid derivatives, method for the production and use thereof CURACYTE CHEMISTRY GMBH (DE) 2007-03-08 US disclosed
WO-2004101507-A2 N-SULPHONYLATED AMINO ACID DERIVATIVES AND USE THEREOF AS MATRIPTASE INHIBITORS CURACYTE CHEMISTRY GMBH (DE) 2004-11-25 WO 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 (3 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-20070055065-A1 N-sulphonylated amino acid derivatives, method for the production and use thereof DNPEP, ANPEP, PEPD NAAA 107/4885CHRM2 4716/4885CHRM1 4538/4885
US-20110002992-A1 N-SULPHONYLATED AMINO ACID DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF DNPEP, ANPEP, PEPD NAAA 107/4885CHRM2 4716/4885CHRM1 4538/4885
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF TRPV1, FGFR3, GPR17 NAAA 2367/4885CHRM2 1034/4885CHRM1 904/4885

“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.