SCHEMBL5964593

SCHEMBL5964593

OC(CNCCc1ccc(-c2ccccc2C(F)(F)F)c(Cl)c1)COc1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ GAA P10253 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ ADRB2 P07550 2/20 0.51
▸ ADRB1 P08588 2/20 0.51
▸ ADRB3 P13945 2/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ KCNH2 Q12809 2/20 0.49
▸ SLC6A2 P23975 1/20 0.49
▸ SLC6A3 Q01959 1/20 0.49

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
SCHEMBL5964346 0.88 ADRB2 (0.53) KMT2AMEN1MAPTMAPK1GAA
SCHEMBL5964034 0.80 ADRB2 (0.43) KMT2AMEN1MAPTMAPK1GAA
SCHEMBL5964591 0.80 MEN1 (0.48) KMT2AMEN1MAPK1GAA
SCHEMBL5964497 0.79 MEN1 (0.47) KMT2AMEN1MAPTMAPK1GAA
SCHEMBL5964271 0.78 ADRB3 (0.53) GAAADRB2ADRB1ADRB3SMN1; SMN2
SCHEMBL5963803 0.78 FAAH (0.45) ADRB2ADRB1ADRB3KCNH2
SCHEMBL5964374 0.77 ADRB1 (0.49) ADRB2ADRB1ADRB3SLC6A3
SCHEMBL5963963 0.76 ADRB1 (0.57) KMT2AMEN1MAPTMAPK1GAA
SCHEMBL5964298 0.72 ADRB3 (0.59) KMT2AMEN1ADRB2ADRB1ADRB3
SCHEMBL2024942 0.72 ADRB3 (0.76) ADRB2ADRB1ADRB3KCNH2SLC6A2

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 KMT2A 2160/4885MEN1 4443/4885MAPT 3211/4885

“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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