SCHEMBL14545443

SCHEMBL14545443

COc1ccc(-c2ncc(N3CCS(=O)(=O)CC3)nc2-c2ccncc2Cl)c(C)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 6/20 0.58
▸ CNR2 P34972 2/20 0.58
▸ CDC7 O00311 1/20 0.35
▸ DBF4 Q9UBU7 1/20 0.35
▸ PTPN11 Q06124 3/20 0.34
▸ SMO Q99835 3/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ CRHR1 P34998 1/20 0.34
▸ PDE2A O00408 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ TGFBR1 P36897 1/20 0.33
▸ ACVR1 Q04771 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
SCHEMBL14545456 0.87 CNR1 (0.62) CNR1CNR2PTPN11SMO
SCHEMBL14545441 0.81 CNR1 (0.62) CNR1CNR2PTPN11SMO
SCHEMBL14544965 0.81 CNR1 (0.67) CNR1CNR2JAK2JAK1JAK3
SCHEMBL14545384 0.80 CNR1 (0.77) CNR1CNR2PTPN11SMO
SCHEMBL14544955 0.79 CNR1 (0.65) CNR1CNR2PTPN11
SCHEMBL14545183 0.78 CNR1 (0.54) CNR1CNR2PTPN11PDE2APDE10A
SCHEMBL14545302 0.78 CNR1 (0.80) CNR1CNR2PTPN11
SCHEMBL14544944 0.77 CNR1 (0.78) CNR1CNR2PDE10A
SCHEMBL14545587 0.77 CNR1 (0.44) CNR1CNR2CDC7DBF4PTPN11
SCHEMBL14545613 0.77 CNR1 (0.72) CNR1CNR2PTPN11

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 2/4885CDC7 4433/4885

“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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