SCHEMBL14545720

SCHEMBL14545720

CC(C)C(=O)N1CCC(Oc2cnc(-c3ccc(C(F)(F)F)cc3)c(-c3ccncc3Cl)n2)CC1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 4/20 0.60
▸ CNR2 P34972 2/20 0.60
▸ DPP4 P27487 1/20 0.42
▸ LIPE Q05469 8/20 0.41
▸ MET P08581 1/20 0.39
▸ NAMPT P43490 1/20 0.38
▸ ENPP2 Q13822 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ PIK3CD O00329 1/20 0.38
▸ MDM2 Q00987 1/20 0.37

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
SCHEMBL14545717 0.91 CNR1 (0.49) CNR1CNR2LIPEMETNAMPT
SCHEMBL5516071 0.91 CNR1 (0.56) CNR1CNR2DPP4LIPEMET
SCHEMBL14545701 0.90 CNR1 (0.56) CNR1CNR2LIPEMETNAMPT
SCHEMBL14523449 0.89 CNR1 (0.54) CNR1CNR2
SCHEMBL14545423 0.84 CNR1 (0.53) CNR1CNR2DPP4PIK3CD
SCHEMBL5519690 0.84 CNR1 (0.53) CNR1CNR2DPP4METPIK3CD
SCHEMBL14545099 0.83 CNR1 (0.57) CNR1CNR2LIPENAMPTPIK3CD
SCHEMBL14523450 0.82 CNR1 (0.52) CNR1CNR2PIK3CD
SCHEMBL4691295 0.82 CNR1 (0.52) CNR1CNR2
SCHEMBL14545420 0.81 CNR1 (0.51) CNR1CNR2LIPENAMPTPIK3CD

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 2/4885DPP4 4468/4885

“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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