SCHEMBL5519690

SCHEMBL5519690

O=C(O)N1CC(Oc2cnc(-c3ccc(C(F)(F)F)cc3)c(-c3ccncc3Cl)n2)C1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 5/20 0.53
▸ CNR2 P34972 2/20 0.53
▸ SMO Q99835 1/20 0.36
▸ ADORA2B P29275 1/20 0.35
▸ FAAH O00519 1/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ MET P08581 1/20 0.34
▸ GSK3A P49840 2/20 0.34
▸ GSK3B P49841 2/20 0.34
▸ SLC22A12 Q96S37 1/20 0.34
▸ DPP4 P27487 1/20 0.34
▸ CKS1B P61024 1/20 0.34
▸ SKP1 P63208 1/20 0.34
▸ SKP2 Q13309 1/20 0.34
▸ KCNH2 Q12809 1/20 0.33
▸ GPBAR1 Q8TDU6 1/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 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
SCHEMBL5516071 0.91 CNR1 (0.56) CNR1CNR2ADORA2BPIK3CDMET
SCHEMBL14545423 0.90 CNR1 (0.53) CNR1CNR2SMOADORA2BPIK3CD
SCHEMBL14545099 0.90 CNR1 (0.57) CNR1CNR2ADORA2BPIK3CDCKS1B
SCHEMBL14545420 0.90 CNR1 (0.51) CNR1CNR2ADORA2BFAAHPIK3CD
SCHEMBL14523450 0.89 CNR1 (0.52) CNR1CNR2PIK3CDCKS1BSKP1
SCHEMBL14545424 0.88 CNR1 (0.51) CNR1CNR2FAAHPIK3CDGSK3A
SCHEMBL14545701 0.85 CNR1 (0.56) CNR1CNR2ADORA2BPIK3CDMET
SCHEMBL5515993 0.84 CNR1 (0.42) CNR1CNR2SMOFAAHSLC22A12
SCHEMBL14545720 0.84 CNR1 (0.60) CNR1CNR2PIK3CDMETDPP4
SCHEMBL14523449 0.82 CNR1 (0.54) CNR1CNR2

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 2/4885SMO 840/4885

“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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