SCHEMBL4245822

SCHEMBL4245822

S=C(NC1CCCCC1)c1cnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 17/20 1.00
TP53 P04637 1/20 0.46
MDM2 Q00987 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45

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
SCHEMBL4457218 0.85 CNR1 (1.00) CNR1
SCHEMBL5162699 0.75 CNR1 (0.66) CNR1RXFP1
SCHEMBL5943309 0.74 CNR1 (0.80) CNR1
SCHEMBL5943307 0.74 CNR1 (0.80) CNR1
SCHEMBL4252470 0.73 CNR1 (0.58) CNR1
SCHEMBL4455038 0.72 CNR1 (1.00) CNR1
SCHEMBL4456100 0.72 CNR1 (1.00) CNR1
SCHEMBL5768879 0.72 CNR1 (0.79) CNR1
SCHEMBL5768883 0.72 CNR1 (0.79) CNR1
SCHEMBL5768876 0.72 CNR1 (0.79) CNR1

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-20090156616-A1 THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2009-06-18 US disclosed
EP-1910304-A2 THERAPEUTIC AGENTS AstraZeneca AB (SE) 2008-04-16 EP disclosed
WO-2007010222-A2 THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2007-01-25 WO disclosed

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-20090156616-A1 THERAPEUTIC AGENTS NLN, BDNF, GAP43 CNR1 173/4885TP53 4824/4885MDM2 4858/4885

“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.