SCHEMBL4750473

SCHEMBL4750473

CC(C)S(=O)(=O)N1CC(Oc2cnc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)n2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNB4 O00305 7/20 0.52
CACNA1A O00555 7/20 0.52
CACNA1G O43497 7/20 0.52
CACNG3 O60359 7/20 0.52
CACNA1F O60840 7/20 0.52
CACNA1H O95180 7/20 0.52
CACNB3 P54284 7/20 0.52
CACNA2D1 P54289 7/20 0.52
CACNG7 P62955 7/20 0.52
CACNA1B Q00975 7/20 0.52
CACNA1D Q01668 7/20 0.52
CACNB1 Q02641 7/20 0.52
CACNG1 Q06432 7/20 0.52
CACNB2 Q08289 7/20 0.52
CACNA1S Q13698 7/20 0.52
CACNA1C Q13936 7/20 0.52
CACNA1E Q15878 7/20 0.52
CACNA2D4 Q7Z3S7 7/20 0.52
CACNA2D3 Q8IZS8 7/20 0.52
CACNG8 Q8WXS5 7/20 0.52

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
SCHEMBL5516419 0.80 MAPT (0.40) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL4691844 0.77 CNR1 (0.43) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL5522413 0.74 PDE10A (0.42) CNR1ALDH1A1KDM1A
SCHEMBL5520852 0.74 MAPK11 (0.42) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL14545603 0.74 MET (0.43) CYP3A4CNR1ALDH1A1KDM1AFPR2
SCHEMBL4694942 0.74 CACNB4 (0.53) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL14545371 0.74 ALDH1A1 (0.47) CYP3A4CYP3A5CNR1ALDH1A1
SCHEMBL4694710 0.73 EP300 (0.42) CNR1KDM1A
SCHEMBL4693991 0.71 PIK3CD (0.43) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL14544919 0.71 EP300 (0.52) KDM1A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871762-A2 SUBTITUTED HETEROARYL CB1 ANTAGONISTS NEUROGEN CORPORATION (US) 2008-01-02 EP disclosed
US-20070078135-A1 Substituted heteroaryl CB1 antagonists NEUROGEN CORPORATION (US) 2007-04-05 US disclosed
US-20070078135-A1 Substituted heteroaryl CB1 antagonists NEUROGEN CORPORATION (US) 2007-04-05 US disclosed
US-20070078135-A1 Substituted heteroaryl CB1 antagonists NEUROGEN CORPORATION (US) 2007-04-05 US disclosed
WO-2006113704-A2 SUBTITUTED HETEROARYL CB1 ANTAGONISTS NEUROGEN CORPORATION (US) 2006-10-26 WO 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 CACNB4 2663/4885CACNA1A 1351/4885CACNA1G 1169/4885

“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.