SCHEMBL5372895

SCHEMBL5372895

CC(C)NC1(C(N)=O)CCN(c2nncc3c(-c4ccc(F)cc4)n(-c4ccccc4Cl)nc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 16/20 0.41
CNR2 P34972 1/20 0.41
KCNH2 Q12809 1/20 0.41
ALDH1A1 P00352 1/20 0.39
CYP2D6 P10635 1/20 0.39
ADORA3 P0DMS8 1/20 0.35
ADORA1 P30542 1/20 0.35

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
SCHEMBL5377317 0.94 CNR1 (0.42) CNR1CNR2KCNH2ALDH1A1CYP2D6
SCHEMBL5372812 0.92 CNR1 (0.42) CNR1CNR2KCNH2ADORA3ADORA1
SCHEMBL5379142 0.89 CNR1 (0.47) CNR1CNR2KCNH2
SCHEMBL5382610 0.88 CNR1 (0.41) CNR1CNR2KCNH2
SCHEMBL5375528 0.87 CNR1 (0.39) CNR1CNR2KCNH2
SCHEMBL5375366 0.85 CNR1 (0.42) CNR1CNR2KCNH2ALDH1A1
SCHEMBL5373810 0.83 CNR1 (0.52) CNR1CNR2KCNH2
SCHEMBL5368415 0.83 CNR1 (0.40) CNR1CNR2KCNH2
SCHEMBL5432016 0.83 CNR1 (0.45) CNR1CNR2ALDH1A1CYP2D6
SCHEMBL27636190 0.82 CNR1 (0.40) CNR1CNR2KCNH2ADORA3ADORA1

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-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-20070213334-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CARPINO PHILIP A 2007-09-13 US disclosed
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-7232823-B2 Cannabinoid receptor ligands and uses thereof PFIZER, INC. (US) 2007-06-19 US disclosed
US-7232823-B2 Cannabinoid receptor ligands and uses thereof PFIZER, INC. (US) 2007-06-19 US disclosed
EP-1636233-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF Pfizer Products Inc. (US) 2006-03-22 EP disclosed
WO-2004108728-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2004-12-16 WO 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 1/4885CNR2 2/4885KCNH2 3162/4885
US-20070213334-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR2, CNR1, GPR18 CNR1 2/4885CNR2 1/4885KCNH2 3027/4885

“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.