SCHEMBL5373533

SCHEMBL5373533

CC(C)N1CNC(=O)C12CCN(c1nncc3c(-c4ccc(F)cc4)n(-c4ccccc4Cl)nc13)CC2

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 17/20 0.39
ADORA3 P0DMS8 1/20 0.35
ADORA1 P30542 1/20 0.35
CNR2 P34972 3/20 0.35
KCNH2 Q12809 1/20 0.35
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL5391738 0.94 CNR1 (0.45) CNR1CNR2
SCHEMBL5409956 0.80 CNR1 (0.51) CNR1CNR2
SCHEMBL27636190 0.79 CNR1 (0.40) CNR1ADORA3ADORA1CNR2KCNH2
SCHEMBL27636216 0.79 ADORA3 (0.38) CNR1ADORA3ADORA1CNR2KCNH2
SCHEMBL5379203 0.79 CNR1 (0.41) CNR1ADORA3ADORA1CNR2KCNH2
SCHEMBL5370878 0.79 CNR1 (0.47) CNR1ADORA3ADORA1CNR2KCNH2
SCHEMBL5368810 0.79 CNR1 (0.41) CNR1ADORA3ADORA1CNR2KCNH2
SCHEMBL5372895 0.79 CNR1 (0.41) CNR1ADORA3ADORA1CNR2KCNH2
SCHEMBL5382610 0.78 CNR1 (0.41) CNR1CNR2KCNH2
SCHEMBL5372812 0.78 CNR1 (0.42) CNR1ADORA3ADORA1CNR2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7232823-B2 Cannabinoid receptor ligands and uses thereof PFIZER, INC. (US) 2007-06-19 US claimed
US-20040248881-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-12-09 US claimed
US-20070213334-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CARPINO PHILIP A 2007-09-13 US disclosed
US-7232823-B2 Cannabinoid receptor ligands and uses thereof PFIZER, INC. (US) 2007-06-19 US disclosed
US-20040248881-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-12-09 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-20040248881-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 CNR1 1/4885ADORA3 500/4885ADORA1 447/4885
US-20070213334-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR2, CNR1, GPR18 CNR1 2/4885ADORA3 442/4885ADORA1 466/4885

“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.