SCHEMBL5375718

SCHEMBL5375718

CCCCc1nc2c(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nn2c(OCC)c1Br

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.37
ADORA2B P29275 3/20 0.37
ADORA1 P30542 3/20 0.37
ADORA3 P0DMS8 10/20 0.37
CRHR1 P34998 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
GCGR P47871 1/20 0.34
HSD11B1 P28845 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
SCHEMBL5386324 0.80 ADORA3 (0.37) ADORA2AADORA3CRHR1TDP1HSD11B1
SCHEMBL5380161 0.79 KMT2A (0.41) ADORA2AADORA2BADORA1
SCHEMBL4840644 0.78 CNR1 (0.40) ADORA2AADORA2BADORA1CRHR1TDP1
SCHEMBL4840591 0.78 CRHR1 (0.39) ADORA3CRHR1TDP1GCGRHSD11B1
SCHEMBL4833246 0.75 CNR1 (0.39) CRHR1TDP1
SCHEMBL5384163 0.73 NPC1 (0.44) ADORA2AADORA2BADORA1
SCHEMBL4834043 0.72 CRHR1 (0.43) CRHR1
SCHEMBL4832926 0.71 CNR1 (0.45) CRHR1
SCHEMBL8261401 0.71 CNR1 (0.45) CRHR1
SCHEMBL4841263 0.70 KDM4E (0.39) CRHR1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7176210-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC. (US) 2007-02-13 US disclosed
US-7176210-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC. (US) 2007-02-13 US disclosed
US-7176210-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC. (US) 2007-02-13 US disclosed
US-20040157838-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-20040157838-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 ADORA2A 364/4885ADORA2B 469/4885ADORA1 397/4885

“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.