SCHEMBL5964271

SCHEMBL5964271

OC(CNCCc1ccc(-c2ccccc2C(F)(F)F)c(Cl)c1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 11/20 0.53
▸ ADRB1 P08588 7/20 0.53
▸ ADRB2 P07550 5/20 0.50
▸ PLA2G1B P04054 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ ATG4B Q9Y4P1 1/20 0.48
▸ RORC P51449 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL5964374 0.94 ADRB1 (0.49) ADRB3ADRB1ADRB2PLA2G1BPOLB
SCHEMBL5963803 0.86 FAAH (0.45) ADRB3ADRB1ADRB2RORC
SCHEMBL5964011 0.83 ADRB3 (0.69) ADRB3ADRB1ADRB2PLA2G1BPOLB
SCHEMBL5964593 0.78 KMT2A (0.52) ADRB3ADRB1ADRB2GAASMN1; SMN2
SCHEMBL6211713 0.77 ADRB3 (0.66) ADRB3ADRB1ADRB2PLA2G1BPOLB
SCHEMBL5964266 0.76 CNR2 (0.71) PLA2G1BPOLBATG4BRORCKDM4E
SCHEMBL5964296 0.75 ADRB3 (0.52) ADRB3ADRB1ADRB2PLA2G1BPOLB
SCHEMBL5964346 0.74 ADRB2 (0.53) ADRB3ADRB1ADRB2GAASMN1; SMN2
SCHEMBL5964330 0.74 ADRB2 (0.61) ADRB3ADRB1ADRB2KDM4EGAA
SCHEMBL5964586 0.74 FAAH (0.45) ADRB3ADRB1ADRB2KDM4EGAA

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-20060052315-A1 Cb 1/cb 2 receptor ligands and their use in the treatment of pain ASTRAZENECA AB (SE) 2006-03-09 — — US claimed
EP-1594856-A1 CB 1/CB 2 RECEPTOR LIGANDS AND THEIR USE IN THE TREATMENT OF PAIN AstraZeneca AB (SE) 2005-11-16 — — EP claimed
WO-2004060882-A1 CB 1/CB 2 RECEPTOR LIGANDS AND THEIR USE IN THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2004-07-22 — — WO 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 ADRB3 86/4885ADRB1 23/4885ADRB2 15/4885

“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.

Send feedback