SCHEMBL5524167

SCHEMBL5524167

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.42
MAPK11 Q15759 4/20 0.41
MAPK14 Q16539 4/20 0.41
MAPK1 P28482 2/20 0.41
IKBKB O14920 2/20 0.40
HSD11B1 P28845 1/20 0.40
TP53 P04637 1/20 0.38
FAAH O00519 1/20 0.38
USP5 P45974 2/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
USP3 Q9Y6I4 1/20 0.35

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
SCHEMBL14545032 0.88 MAPK11 (0.53) CNR1MAPK11MAPK14MAPK1IKBKB
SCHEMBL5514358 0.87 LMNA (0.46) CNR1MAPK11MAPK14MAPK1IKBKB
SCHEMBL5520852 0.85 MAPK11 (0.42) CNR1MAPK11MAPK14MAPK1IKBKB
SCHEMBL14523445 0.85 MEN1 (0.45) CNR1MAPK11MAPK14MAPK1IKBKB
SCHEMBL5520857 0.83 HSD11B1 (0.41) CNR1MAPK11MAPK14MAPK1IKBKB
SCHEMBL5514377 0.81 CNR1 (0.46) CNR1MAPK11MAPK14MAPK1HSD11B1
SCHEMBL14523442 0.78 CKS1B (0.51) CNR1MAPK11MAPK14MAPK1
SCHEMBL14523443 0.78 MAPT (0.48) CNR1MAPK11MAPK14MAPK1
SCHEMBL14544903 0.77 CNR1 (0.53) CNR1MAPK1
SCHEMBL4694363 0.75 CKS1B (0.53) CNR1TP53FAAH

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 1/4885MAPK11 2957/4885MAPK14 3352/4885

“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.