SCHEMBL5381071

SCHEMBL5381071

Cc1ccc(-c2c3cnnc(N4CCC(O)(c5ccccc5)CC4)c3nn2-c2ccccc2Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 13/20 0.44
ADORA3 P0DMS8 1/20 0.43
ADORA1 P30542 1/20 0.43
CNR2 P34972 3/20 0.39
KCNH2 Q12809 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
OPRM1 P35372 3/20 0.36
OPRD1 P41143 3/20 0.36
OPRK1 P41145 3/20 0.36
OPRL1 P41146 3/20 0.36
PDE10A Q9Y233 1/20 0.36
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34

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
SCHEMBL5375545 0.94 ADORA3 (0.46) CNR1ADORA3ADORA1CNR2KCNH2
SCHEMBL5368773 0.93 CNR1 (0.51) CNR1ADORA3ADORA1CNR2KCNH2
SCHEMBL5370878 0.91 CNR1 (0.47) CNR1ADORA3ADORA1CNR2KCNH2
SCHEMBL5373802 0.83 CNR1 (0.44) CNR1ADORA3ADORA1CNR2KCNH2
SCHEMBL5368810 0.82 CNR1 (0.41) CNR1ADORA3ADORA1CNR2KCNH2
SCHEMBL27636275 0.81 CNR1 (0.42) CNR1ADORA3ADORA1CNR2KCNH2
SCHEMBL5379203 0.81 CNR1 (0.41) CNR1ADORA3ADORA1CNR2KCNH2
SCHEMBL5377338 0.81 CNR1 (0.53) CNR1ADORA3ADORA1CNR2KCNH2
SCHEMBL27636190 0.80 CNR1 (0.40) CNR1ADORA3ADORA1CNR2KCNH2
SCHEMBL27636276 0.79 CNR1 (0.42) CNR1ADORA3ADORA1CNR2

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 8 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
CN-1805963-A Cannabinoid receptor ligands and uses thereof PFIZER (US) 2006-07-19 CN 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 1/4885ADORA3 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.