SCHEMBL5963824

SCHEMBL5963824

OC(CNCCc1ccc(-c2ccccc2F)cc1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 4/20 0.61
ADRB3 P13945 13/20 0.59
ADRB1 P08588 4/20 0.59
KDM4E B2RXH2 1/20 0.54
GAA P10253 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
LMNA P02545 1/20 0.51

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
SCHEMBL5964330 0.84 ADRB2 (0.61) ADRB2ADRB3ADRB1KDM4EGAA
SCHEMBL10720145 0.81 ADRB2 (0.77) ADRB2ADRB3KDM4EGAASMN1; SMN2
SCHEMBL5964589 0.81 ADRB2 (0.68) ADRB2ADRB3ADRB1KDM4EGAA
SCHEMBL5964373 0.81 ADRB3 (0.59) ADRB2ADRB3ADRB1KDM4EGAA
SCHEMBL9467104 0.81 ADRB2 (0.68) ADRB2ADRB3ADRB1KDM4EGAA
SCHEMBL5964674 0.79 ADRB3 (0.56) ADRB2ADRB3ADRB1KDM4EGAA
SCHEMBL9543386 0.79 ADRB2 (0.73) ADRB2ADRB3ADRB1KDM4EGAA
SCHEMBL4467889 0.79 ADRB2 (0.73) ADRB2ADRB3ADRB1KDM4EGAA
SCHEMBL4467885 0.79 ADRB2 (0.73) ADRB2ADRB3ADRB1KDM4EGAA
SCHEMBL5963830 0.78 ADRB2 (0.56) ADRB2ADRB3ADRB1KDM4EGAA

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 ADRB2 15/4885ADRB3 86/4885ADRB1 23/4885

“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.