SCHEMBL5237529

SCHEMBL5237529

NC1(C(=O)O)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 20/20 0.77
CNR2 P34972 15/20 0.77
KCNH2 Q12809 1/20 0.67

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
SCHEMBL6752816 0.99 CNR1 (0.76) CNR1CNR2KCNH2
SCHEMBL5241718 0.93 CNR1 (0.79) CNR1CNR2KCNH2
SCHEMBL15200804 0.87 CNR1 (1.00) CNR1CNR2KCNH2
SCHEMBL31038579 0.87 CNR1 (0.79) CNR1CNR2KCNH2
SCHEMBL5239217 0.87 CNR1 (0.73) CNR1CNR2KCNH2
SCHEMBL15200900 0.87 CNR1 (1.00) CNR1CNR2KCNH2
SCHEMBL5236621 0.85 CNR1 (0.80) CNR1CNR2KCNH2
SCHEMBL15201068 0.85 CNR1 (0.89) CNR1CNR2
SCHEMBL5234811 0.85 CNR1 (0.84) CNR1CNR2KCNH2
SCHEMBL20304708 0.85 CNR1 (0.82) CNR1CNR2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558615-B8 PURINE COMPOUNDS AND USE THEREOF AS CANNABINOID RECEPTOR LIGANDS PFIZER PROD INC (US) 2007-10-10 EP disclosed
US-7129239-B2 Purine compounds and uses thereof PFIZER INC. (US) 2006-10-31 US disclosed
US-20060241120-A1 Cannabinoid Receptor Ligands and Uses Thereof PFIZER INC 2006-10-26 US disclosed
EP-1558615-A1 PURINE COMPOUNDS AND USE THEREOF AS CANNABINOID RECEPTOR LIGANDS Pfizer Products Inc. (US) 2005-08-03 EP 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 (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-20060241120-A1 Cannabinoid Receptor Ligands and Uses Thereof CNR1, CNR2, GPR18 CNR1 1/4885CNR2 2/4885KCNH2 2953/4885
US-20040092520-A1 Purine compounds and uses thereof CNR1, CNR2, P2RY1 CNR1 1/4885CNR2 2/4885KCNH2 3016/4885

“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.