SCHEMBL5340635

SCHEMBL5340635

O=C1c2nn(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)c2CN1C1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.55
TP53 P04637 2/20 0.42
CDK4 P11802 1/20 0.41
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
CNR2 P34972 2/20 0.38
ADORA3 P0DMS8 1/20 0.37
ADORA1 P30542 1/20 0.37
CYP1A2 P05177 1/20 0.37
HIF1A Q16665 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL5344761 0.99 CNR1 (0.56) CNR1TP53CDK4IDO1TDO2
SCHEMBL5343755 0.90 CNR1 (0.48) CNR1TP53CDK4IDO1TDO2
SCHEMBL5341646 0.89 CNR1 (0.48) CNR1TP53CDK4IDO1TDO2
SCHEMBL5343064 0.82 CNR1 (0.42) CNR1IDO1TDO2CNR2CYP1A2
SCHEMBL5349632 0.81 CNR1 (0.81) CNR1CNR2
SCHEMBL5344766 0.80 CNR1 (0.44) CNR1IDO1TDO2CNR2CYP1A2
SCHEMBL5343887 0.80 CNR1 (0.80) CNR1CNR2
SCHEMBL5349627 0.79 CNR1 (0.78) CNR1CNR2
SCHEMBL5344199 0.78 CNR1 (0.53) CNR1IDO1TDO2CNR2CYP1A2
SCHEMBL5342738 0.75 CNR1 (0.46) CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7230024-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC (US) 2007-06-12 US claimed
US-20060205948-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2006-09-14 US claimed
US-20040214855-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-10-28 US claimed
US-7241788-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC. (US) 2007-07-10 US disclosed
US-7230024-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC (US) 2007-06-12 US disclosed
US-7145012-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC. (US) 2006-12-05 US disclosed
US-20060205948-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2006-09-14 US disclosed
US-20060205720-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2006-09-14 US disclosed
EP-1622909-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF Pfizer Products Inc. (US) 2006-02-08 EP disclosed
WO-2004094429-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2004-11-04 WO disclosed
US-20040214855-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-10-28 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 (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-20060205720-A1 Cannabinoid receptor ligands and uses thereof CNR2, CNR1, GPR18 CNR1 2/4885TP53 4877/4885CDK4 2490/4885
US-20060205948-A1 Cannabinoid receptor ligands and uses thereof CNR2, CNR1, GPR18 CNR1 2/4885TP53 4877/4885CDK4 2490/4885
US-20040214855-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 CNR1 1/4885TP53 4878/4885CDK4 2319/4885

“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.