SCHEMBL5236409

SCHEMBL5236409

CCNC1(C#N)CN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 2/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP2D6 P10635 5/20 0.41
CYP3A4 P08684 5/20 0.41
CYP2C9 P11712 2/20 0.41
USP2 O75604 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.39
OPRM1 P35372 9/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
ADRA2A P08913 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CHRM1 P11229 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
SCHEMBL1488545 0.84 NPSR1 (0.41) NPSR1GPR55ALDH1A1CYP2D6CYP3A4
SCHEMBL4841029 0.83 NPSR1 (0.45) NPSR1GPR55ALDH1A1MAPTHTT
SCHEMBL4837814 0.82 NPSR1 (0.44) NPSR1GPR55ALDH1A1MAPTHTT
SCHEMBL8941983 0.78 NPSR1 (0.50) NPSR1GPR55ALDH1A1MAPTHTT
SCHEMBL5457749 0.77 NPSR1 (0.45) NPSR1GPR55CYP2D6CYP3A4CYP2C9
SCHEMBL5455644 0.74 NPSR1 (0.53) NPSR1GPR55CYP2D6CYP3A4CYP2C9
SCHEMBL9230657 0.73 CTSL (0.49) ALDH1A1CYP2D6CYP3A4CYP2C9USP2
SCHEMBL20993041 0.73 CHRM2 (0.43) NPSR1GPR55ALDH1A1CYP2D6CYP3A4
SCHEMBL4840431 0.72 NPSR1 (0.46) NPSR1GPR55CYP2D6CYP3A4CYP2C9
SCHEMBL4840944 0.71 CYP3A4 (0.46) NPSR1GPR55ALDH1A1MAPTHTT

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100478343-C Purine compound and use as cannabinoid receptor ligands PFIZER (US) 2009-04-15 CN disclosed
CN-100439369-C Purine compounds and their use as cannabinoid receptor ligands PFIZER (US) 2008-12-03 CN disclosed
EP-1558615-B8 PURINE COMPOUNDS AND USE THEREOF AS CANNABINOID RECEPTOR LIGANDS PFIZER PROD INC (US) 2007-10-10 EP disclosed
EP-1558615-B1 PURINE COMPOUNDS AND USE THEREOF AS CANNABINOID RECEPTOR LIGANDS PFIZER PROD INC (US) 2007-08-29 EP disclosed
EP-1558615-B1 PURINE COMPOUNDS AND USE THEREOF AS CANNABINOID RECEPTOR LIGANDS PFIZER PROD INC (US) 2007-08-29 EP disclosed
US-20070123507-A1 Process for converting heterocyclic ketones to amido-substituted heterocycles PFIZER INC. 2007-05-31 US disclosed
US-20070123507-A1 Process for converting heterocyclic ketones to amido-substituted heterocycles PFIZER INC. 2007-05-31 US disclosed
US-20070123507-A1 Process for converting heterocyclic ketones to amido-substituted heterocycles PFIZER INC. 2007-05-31 US disclosed
CN-1955182-A Purine compound and use as cannabinoid receptor ligands PFIZER (US) 2007-05-02 CN disclosed
CN-1955181-A Purine compound and use as cannabinoid receptor ligands PFIZER (US) 2007-05-02 CN disclosed
US-20060241120-A1 Cannabinoid Receptor Ligands and Uses Thereof PFIZER INC 2006-10-26 US disclosed
EP-1692103-A1 PROCESS FOR CONVERTING HETEROCYCLIC KETONES TO AMIDO-SUBSTITUTED HETEROCYCLES Pfizer Products Inc. (US) 2006-08-23 EP disclosed
EP-1638570-A1 PYRIMIDINE DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS Pfizer Products Inc. (US) 2006-03-29 EP disclosed
CN-1708499-A Purine compounds and their use as cannabinoid receptor ligands PFIZER (US) 2005-12-14 CN disclosed
EP-1558615-A1 PURINE COMPOUNDS AND USE THEREOF AS CANNABINOID RECEPTOR LIGANDS Pfizer Products Inc. (US) 2005-08-03 EP disclosed
WO-2005054184-A1 PROCESS FOR CONVERTING HETEROCYCLIC KETONES TO AMIDO-SUBSTITUTED HETEROCYCLES PFIZER PRODUCTS INC. (US) 2005-06-16 WO disclosed
US-20040259887-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-12-23 US disclosed
WO-2004110453-A1 PYRIMIDINE DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS PFIZER PRODUCTS INC. (US) 2004-12-23 WO disclosed
US-20040092520-A1 Purine compounds and uses thereof PFIZER INC. 2004-05-13 US disclosed
WO-2004037823-A1 PURINE COMPOUNDS AND USES THEREOF AS CANNABINOID RECEPTOR LIGANDS PFIZER PRODUCTS INC. (US) 2004-05-06 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 (4 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-20060241120-A1 Cannabinoid Receptor Ligands and Uses Thereof CNR1, CNR2, GPR18 NPSR1 13/4885GPR55 10/4885ALDH1A1 1926/4885
US-20040259887-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 NPSR1 10/4885GPR55 12/4885ALDH1A1 1683/4885
US-20070123507-A1 Process for converting heterocyclic ketones to amido-substituted heterocycles AKR1C2, AKR1C1, AKR1C4 NPSR1 2608/4885GPR55 4172/4885ALDH1A1 291/4885
US-20040092520-A1 Purine compounds and uses thereof CNR1, CNR2, P2RY1 NPSR1 30/4885GPR55 59/4885ALDH1A1 621/4885

“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.