SCHEMBL5520852

SCHEMBL5520852

CC(C)S(=O)(=O)N1CCC(c2cnc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 3/20 0.42
MAPK14 Q16539 3/20 0.42
MAPK1 P28482 1/20 0.41
CACNB4 O00305 2/20 0.40
CACNA1A O00555 2/20 0.40
CACNA1G O43497 2/20 0.40
CACNG3 O60359 2/20 0.40
CACNA1F O60840 2/20 0.40
CACNA1H O95180 2/20 0.40
CACNB3 P54284 2/20 0.40
CACNA2D1 P54289 2/20 0.40
CACNG7 P62955 2/20 0.40
CACNA1B Q00975 2/20 0.40
CACNA1D Q01668 2/20 0.40
CACNB1 Q02641 2/20 0.40
CACNG1 Q06432 2/20 0.40
CACNB2 Q08289 2/20 0.40
CACNA1S Q13698 2/20 0.40
CACNA1C Q13936 2/20 0.40
CACNA1E Q15878 2/20 0.40

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
SCHEMBL14544962 0.89 ADORA2A (0.41) MAPK14MAPK1TLR9TLR8TLR7
SCHEMBL14545032 0.87 MAPK11 (0.53) MAPK11MAPK14MAPK1CYP3A4HSD11B1
SCHEMBL5514358 0.86 LMNA (0.46) MAPK11MAPK14MAPK1HSD11B1IKBKB
SCHEMBL5524167 0.85 CNR1 (0.42) MAPK11MAPK14MAPK1HSD11B1IKBKB
SCHEMBL14523445 0.84 MEN1 (0.45) MAPK11MAPK14MAPK1HSD11B1IKBKB
SCHEMBL5520857 0.82 HSD11B1 (0.41) MAPK11MAPK14MAPK1HSD11B1IKBKB
SCHEMBL14523443 0.80 MAPT (0.48) MAPK11MAPK14MAPK1CNR1
SCHEMBL14545371 0.79 ALDH1A1 (0.47) CYP3A4CYP3A5ALDH1A1CNR1
SCHEMBL5514377 0.76 CNR1 (0.46) MAPK11MAPK14MAPK1HSD11B1CNR1
SCHEMBL14523442 0.75 CKS1B (0.51) MAPK11MAPK14MAPK1CNR1

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 3 patents. 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
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

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 MAPK11 2957/4885MAPK14 3352/4885MAPK1 2857/4885

“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.