SCHEMBL14544965

SCHEMBL14544965

COc1ccc(-c2ncc(N3CCS(=O)(=O)CC3)nc2-c2ccncc2Cl)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 10/20 0.67
▸ CNR2 P34972 2/20 0.67
▸ MET P08581 1/20 0.42
▸ TGFBR1 P36897 1/20 0.41
▸ ACVR1 Q04771 1/20 0.41
▸ MCHR1 Q99705 1/20 0.38
▸ PSMD14 O00487 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ GAK O14976 1/20 0.37
▸ PDE4B Q07343 2/20 0.36
▸ TTK P33981 1/20 0.36
▸ PDE4A P27815 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ PDE3B Q13370 1/20 0.36
▸ PDE11A Q9HCR9 1/20 0.36
▸ IL2 P60568 1/20 0.35

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
SCHEMBL14545384 0.84 CNR1 (0.77) CNR1CNR2
SCHEMBL14545302 0.84 CNR1 (0.80) CNR1CNR2
SCHEMBL14545443 0.81 CNR1 (0.58) CNR1CNR2TGFBR1ACVR1JAK2
SCHEMBL5515537 0.80 CNR1 (0.73) CNR1CNR2MET
SCHEMBL14545613 0.80 CNR1 (0.72) CNR1CNR2
SCHEMBL14544944 0.80 CNR1 (0.78) CNR1CNR2
SCHEMBL14545441 0.77 CNR1 (0.62) CNR1CNR2
SCHEMBL14545456 0.77 CNR1 (0.62) CNR1CNR2
SCHEMBL14544955 0.76 CNR1 (0.65) CNR1CNR2
SCHEMBL14544983 0.73 CNR1 (0.45) CNR1CNR2PDE4BPDE4A

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 2/4885MET 2004/4885

“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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