SCHEMBL5964596

SCHEMBL5964596

CN(Cc1ccc(-c2ccccc2C(F)(F)F)cc1)CC(O)COc1ccc([N+](=O)[O-])c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.51
▸ MEN1 O00255 5/20 0.45
▸ KMT2A Q03164 5/20 0.45
▸ PTGES O14684 3/20 0.43
▸ MAPK1 P28482 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ PRMT5 O14744 2/20 0.39
▸ WDR77 Q9BQA1 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM1A O60341 1/20 0.38
▸ CDK4 P11802 1/20 0.37
▸ CDK2 P24941 1/20 0.37

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
SCHEMBL5963966 0.88 MEN1 (0.47) MEN1KMT2APTGESMAPK1LMNA
SCHEMBL6192984 0.87 CNR2 (0.55) CNR2MEN1KMT2AMAPK1LMNA
SCHEMBL5964019 0.87 CNR2 (0.55) CNR2MEN1KMT2AMAPK1LMNA
SCHEMBL5964313 0.83 CNR2 (0.51) CNR2MEN1KMT2A
SCHEMBL6190788 0.83 CNR2 (0.51) CNR2MEN1KMT2A
SCHEMBL5964301 0.82 CNR2 (0.58) CNR2MEN1KMT2AMAPK1LMNA
SCHEMBL5964288 0.82 CNR2 (0.67) CNR2MEN1KMT2AMAPK1LMNA
SCHEMBL5964327 0.82 CNR2 (0.57) CNR2MEN1KMT2AMAPK1PRMT5
SCHEMBL5964260 0.80 CNR2 (0.60) CNR2MEN1KMT2AMAPK1LMNA
SCHEMBL5964150 0.80 CNR2 (0.60) CNR2MEN1KMT2AMAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060052315-A1 Cb 1/cb 2 receptor ligands and their use in the treatment of pain ASTRAZENECA AB (SE) 2006-03-09 — — US claimed

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-20060052315-A1 Cb 1/cb 2 receptor ligands and their use in the treatment of pain CNR1, CNR2, OPRL1 CNR2 2/4885MEN1 4443/4885KMT2A 2160/4885

“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.

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