SCHEMBL3081674

SCHEMBL3081674

COC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(O)cc2)c1C

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.72
PPARA Q07869 2/20 0.72
CNR2 P34972 10/20 0.68

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
SCHEMBL908310 0.94 CNR2 (0.75) CNR1PPARACNR2
SCHEMBL4914114 0.90 CNR2 (0.66) CNR1CNR2
SCHEMBL4612450 0.89 CNR1 (0.67) CNR1PPARACNR2
SCHEMBL3085088 0.87 CNR1 (0.73) CNR1PPARACNR2
SCHEMBL3089742 0.86 CNR1 (0.57) CNR1PPARACNR2
SCHEMBL4612325 0.86 CNR1 (0.62) CNR1PPARACNR2
SCHEMBL3086689 0.84 CNR2 (0.58) CNR1PPARACNR2
SCHEMBL29838956 0.83 CNR2 (0.71) CNR1CNR2
SCHEMBL923180 0.83 CNR2 (0.71) CNR1CNR2
SCHEMBL4110658 0.83 CNR1 (0.54) CNR1PPARACNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234439-A1 THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2010-09-16 US disclosed
US-20100234438-A1 THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2010-09-16 US disclosed
US-20080146614-A1 Therapeutic Agents ASTRAZENECA AB (SE) 2008-06-19 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 (3 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-20100234439-A1 THERAPEUTIC AGENTS NLN, GPR119, GRIK5 CNR1 185/4885PPARA 104/4885CNR2 148/4885
US-20080146614-A1 Therapeutic Agents BDNF, NLN, GRIN2C CNR1 597/4885PPARA 509/4885CNR2 480/4885
US-20100234438-A1 THERAPEUTIC AGENTS NLN, GPR119, GRIK5 CNR1 185/4885PPARA 104/4885CNR2 148/4885

“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.