SCHEMBL4090705

SCHEMBL4090705

Cc1ccc2c(Cl)ncc(C(=O)NCC3CCOCC3)n12

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 17/20 0.44
CYP2C9 P11712 4/20 0.43
CYP2C19 P33261 4/20 0.43
CYP1A2 P05177 3/20 0.43
CYP2D6 P10635 3/20 0.43
CYP3A4 P08684 2/20 0.43
CNR1 P21554 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
HTR4 Q13639 1/20 0.40

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
SCHEMBL13940797 0.82 CNR2 (0.60) CNR2CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL13940821 0.81 CNR2 (0.54) CNR2CYP2C9CYP2C19CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL4105426 0.81 CNR2 (0.59) CNR2CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL13940829 0.80 CNR2 (0.48) CNR2CYP2C9CYP2C19CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL4100947 0.80 CNR2 (0.53) CNR2CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL13940818 0.80 CNR2 (0.55) CNR2CYP2C9CYP2C19CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL4109192 0.80 CNR2 (0.54) CNR2CYP2C9CYP2C19CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL4096889 0.80 CNR2 (0.47) CNR2CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL13940826 0.79 CNR2 (0.45) CNR2CYP2C9CYP2C19CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL4095619 0.78 CNR2 (0.45) CNR2CYP2C9CYP2C19CYP1A2CYP2D6

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-20090018128-A1 Compounds GLAXO GROUP LIMITED (GB) 2009-01-15 US disclosed
US-20090018128-A1 Compounds GLAXO GROUP LIMITED (GB) 2009-01-15 US disclosed
US-20090018128-A1 Compounds GLAXO GROUP LIMITED (GB) 2009-01-15 US disclosed
WO-2008116816-A1 COMBINATION OF CB2 LIGAND AND PARACETAMOL GLAXO GROUP LIMITED (GB) 2008-10-02 WO disclosed
WO-2007088168-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-08-09 WO 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-20090018128-A1 Compounds CNR2, CNR1, TRPV1 CNR2 1/4885CYP2C9 1492/4885CYP2C19 839/4885

“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.