SCHEMBL5964028

SCHEMBL5964028

CN(Cc1ccc(-c2ccccc2C(F)(F)F)c(Cl)c1)CC(O)COc1ccc([N+](=O)[O-])cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ RORC P51449 2/20 0.35
▸ CARM1 Q86X55 2/20 0.35
▸ PRMT1 Q99873 2/20 0.35
▸ PRMT3 O60678 1/20 0.35
▸ PRMT6 Q96LA8 1/20 0.35
▸ PRMT8 Q9NR22 1/20 0.35
▸ LMNA P02545 3/20 0.34
▸ POLB P06746 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ ACHE P22303 1/20 0.34

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
SCHEMBL5964337 0.89 ALDH1A1 (0.45) CNR2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL5964313 0.89 CNR2 (0.51) CNR2MEN1KMT2AACHE
SCHEMBL6190788 0.89 CNR2 (0.51) CNR2MEN1KMT2AACHE
SCHEMBL6210562 0.86 MEN1 (0.45) CNR2MEN1KMT2AALDH1A1MAPT
SCHEMBL5964660 0.86 CNR2 (0.38) CNR2MEN1KMT2ALMNAALDH1A1
SCHEMBL6209641 0.84 KMT2A (0.44) MEN1KMT2AKDM4ETDP1LMNA
SCHEMBL5963994 0.84 KMT2A (0.43) MEN1KMT2AKDM4ETDP1LMNA
SCHEMBL5964034 0.83 ADRB2 (0.43) MEN1KMT2ATDP1HTTSMN1; SMN2
SCHEMBL5964350 0.83 CNR2 (0.39) CNR2MEN1KMT2AALDH1A1GAA
SCHEMBL5964050 0.80 KMT2A (0.37) MEN1KMT2ATDP1LMNAALDH1A1

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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