SCHEMBL4840591

SCHEMBL4840591

CCCCOc1nc(C)nc2c(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nn12

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 7/20 0.39
GCGR P47871 1/20 0.39
CNR1 P21554 5/20 0.39
CNR2 P34972 1/20 0.39
BACE1 P56817 2/20 0.38
APP P05067 1/20 0.36
HSD11B1 P28845 1/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
TP53 P04637 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL4833246 0.95 CNR1 (0.39) CRHR1CNR1CNR2BACE1MEN1
SCHEMBL4840644 0.91 CNR1 (0.40) CRHR1CNR1CNR2MEN1NPC1
SCHEMBL5607652 0.82 CNR1 (0.40) CRHR1CNR1CNR2MEN1NPC1
SCHEMBL4840849 0.82 CNR1 (0.40) CRHR1CNR1CNR2MEN1NPC1
SCHEMBL4834043 0.82 CRHR1 (0.43) CRHR1CNR1CNR2
SCHEMBL8261401 0.81 CNR1 (0.45) CRHR1CNR1CNR2MEN1NPC1
SCHEMBL4832926 0.81 CNR1 (0.45) CRHR1CNR1CNR2MEN1NPC1
SCHEMBL4841263 0.78 KDM4E (0.39) CRHR1CNR1CNR2MEN1NPC1
SCHEMBL5375718 0.78 ADORA2A (0.37) CRHR1GCGRHSD11B1ADORA3TDP1
SCHEMBL4841026 0.77 CNR2 (0.39) CRHR1CNR1CNR2TP53

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-20040157839-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-08-12 US claimed
US-7329658-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC (US) 2008-02-12 US disclosed
EP-1592691-A1 PYRAZOLO[1,5-A][1,3,5]TRIAZINE DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS Pfizer Products Inc. (US) 2005-11-09 EP disclosed
WO-2004069837-A1 PYRAZOLO`1,5-A!`1,3,5!TRIAZINE DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS PFIZER PRODUCTS INC. (US) 2004-08-19 WO disclosed
US-20040157839-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-08-12 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 (1 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-20040157839-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 CRHR1 26/4885GCGR 246/4885CNR1 1/4885

“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.