SCHEMBL14544944

SCHEMBL14544944

O=S1(=O)CCN(c2cnc(-c3ccc(OC(F)(F)F)cc3)c(-c3ccncc3Cl)n2)CC1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 10/20 0.78
▸ CNR2 P34972 2/20 0.78
▸ PIM1 P11309 1/20 0.40
▸ SCN9A Q15858 1/20 0.35
▸ CKS1B P61024 1/20 0.34
▸ SKP1 P63208 1/20 0.34
▸ SKP2 Q13309 1/20 0.34
▸ BCHE P06276 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.34
▸ ABL1 P00519 2/20 0.34
▸ ACLY P53396 1/20 0.34
▸ GSK3A P49840 1/20 0.33
▸ GSK3B P49841 1/20 0.33

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
SCHEMBL14545613 0.87 CNR1 (0.72) CNR1CNR2CKS1BSKP1SKP2
SCHEMBL14545302 0.86 CNR1 (0.80) CNR1CNR2CKS1BSKP1SKP2
SCHEMBL14545384 0.84 CNR1 (0.77) CNR1CNR2CKS1BSKP1SKP2
SCHEMBL5515537 0.82 CNR1 (0.73) CNR1CNR2CKS1BSKP1SKP2
SCHEMBL14544965 0.80 CNR1 (0.67) CNR1CNR2
SCHEMBL14545443 0.77 CNR1 (0.58) CNR1CNR2PDE10A
SCHEMBL14544955 0.76 CNR1 (0.65) CNR1CNR2GSK3B
SCHEMBL14545501 0.75 CNR1 (0.77) CNR1CNR2CKS1BSKP1SKP2
SCHEMBL14545441 0.75 CNR1 (0.62) CNR1CNR2
SCHEMBL14545456 0.75 CNR1 (0.62) CNR1CNR2GSK3B

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-20070078135-A1 Substituted heteroaryl CB1 antagonists NEUROGEN CORPORATION (US) 2007-04-05 — — US 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-20070078135-A1 Substituted heteroaryl CB1 antagonists CNR1, CNR2, OPRL1 CNR1 1/4885CNR2 2/4885PIM1 4833/4885

“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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