SCHEMBL4840431

SCHEMBL4840431

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
CYP2D6 P10635 6/20 0.45
CYP3A4 P08684 6/20 0.45
CYP2C9 P11712 4/20 0.45
USP2 O75604 3/20 0.45
CYP1A2 P05177 1/20 0.45
OPRM1 P35372 6/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
ADRA2A P08913 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
DRD1 P21728 1/20 0.43
ADRA1D P25100 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HRH1 P35367 1/20 0.43

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
SCHEMBL5455644 0.79 NPSR1 (0.53) NPSR1GPR55CYP2D6CYP3A4CYP2C9
SCHEMBL5527398 0.76 OPRL1 (0.49) NPSR1GPR55CYP2D6CYP3A4CYP2C9
SCHEMBL13449264 0.76 CYP3A4 (0.47) NPSR1GPR55CYP2D6CYP3A4CYP2C9
SCHEMBL9230667 0.76 CYP2D6 (0.47) NPSR1GPR55CYP2D6CYP3A4CYP2C9
SCHEMBL4841029 0.75 NPSR1 (0.45) NPSR1GPR55CYP2D6CYP3A4CYP2C9
SCHEMBL5457749 0.75 NPSR1 (0.45) NPSR1GPR55CYP2D6CYP3A4CYP2C9
SCHEMBL9358880 0.75 NPSR1 (0.56) NPSR1GPR55CYP2D6CYP3A4CYP2C9
SCHEMBL4837814 0.74 NPSR1 (0.44) NPSR1GPR55CYP2D6CYP3A4CYP2C9
SCHEMBL25900495 0.72 SMN1; SMN2 (0.32)
SCHEMBL10047375 0.72 NPSR1 (0.61) NPSR1GPR55CYP2D6CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7329658-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC (US) 2008-02-12 US disclosed
US-7329658-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC (US) 2008-02-12 US disclosed
US-7329658-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC (US) 2008-02-12 US disclosed
CN-1768061-A Pyrazolo[1,5-a][1,3,5]triazine derivatives as cannabinoid receptor ligands PFIZER PROD INC (US) 2006-05-03 CN disclosed
EP-1592691-A1 PYRAZOLO[1,5-A][1,3,5]TRIAZINE DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS Pfizer Products Inc. (US) 2005-11-09 EP disclosed
US-20040259887-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-12-23 US disclosed
WO-2004069837-A1 PYRAZOLO`1,5-A!`1,3,5!TRIAZINE DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS PFIZER PRODUCTS INC. (US) 2004-08-19 WO disclosed
US-20040157839-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-08-12 US disclosed
US-20040157839-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-08-12 US disclosed
US-20040157839-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-08-12 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 (2 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-20040157839-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 NPSR1 10/4885GPR55 12/4885CYP2D6 1363/4885
US-20040259887-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 NPSR1 10/4885GPR55 12/4885CYP2D6 1363/4885

“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.