SCHEMBL5225940

SCHEMBL5225940

O=S(=O)(Oc1cccc(Cc2ccccc2)n1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.41
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
DRD4 P21917 1/20 0.37
DRD5 P21918 1/20 0.37
DRD3 P35462 1/20 0.37
PDE4A P27815 3/20 0.36
PDE4C Q08493 3/20 0.36
PDE4D Q08499 3/20 0.36
KCNH2 Q12809 1/20 0.35
TRPV3 Q8NET8 1/20 0.34
MAOB P27338 1/20 0.33
KMT2A Q03164 1/20 0.33
FAAH O00519 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
ELANE P08246 1/20 0.33
PRTN3 P24158 1/20 0.33
PRSS3 P35030 1/20 0.33
LIMK1 P53667 1/20 0.32

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
SCHEMBL227790 0.77 KCNH2 (0.45) DRD2DRD1DRD4DRD5DRD3
SCHEMBL6378856 0.76 CA2 (0.34) DRD2DRD1DRD4DRD5DRD3
SCHEMBL1018225 0.73 PDE4A (0.45) PDE4APDE4CPDE4DADORA2AADORA1
SCHEMBL25406591 0.73 PDE4A (0.40) PDE4APDE4CPDE4DKMT2A
SCHEMBL6985382 0.73 PDE4A (0.40) DRD2DRD3PDE4APDE4CPDE4D
SCHEMBL5229072 0.73 BRD4 (0.49) BRD4KCNH2TRPV3MAOBADORA2A
SCHEMBL4652343 0.72 DRD2 (0.47) DRD2DRD1DRD4DRD5DRD3
SCHEMBL5106809 0.72 MEN1 (0.48) PDE4APDE4CPDE4DKCNH2KMT2A
SCHEMBL24754816 0.71 TRPV3 (0.57) BRD4KCNH2TRPV3MAOB
SCHEMBL11330543 0.71 KCNH2 (0.62) BRD4KCNH2MAOBADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100334085-C Quinuclidine compound and medicine containing the same as active ingredient EISAI R & D CO LTD (JP) 2007-08-29 CN disclosed
EP-1375496-B1 N-ARYL-SUBSTITUTED CYCLIC AMINE DERIVATIVE AND MEDICINE CONTAINING THE SAME AS ACTIVE INGREDIENT EISAI R&D MAN CO LTD (JP) 2007-07-04 EP disclosed
US-7112593-B2 N-aryl-substituted cyclic amine derivative and medicine containing the same as active ingredient EISAI CO., LTD. (JP) 2006-09-26 US disclosed
EP-1217001-B1 QUINUCLIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT EISAI CO LTD (JP) 2005-12-07 EP disclosed
US-20040072830-A1 N-aryl-substituted cyclic amine derivative and medicine containing the same as active ingredient EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-04-15 US disclosed
EP-1375496-A1 N-ARYL-SUBSTITUTED CYCLIC AMINE DERIVATIVE AND MEDICINE CONTAINING THE SAME AS ACTIVE INGREDIENT Eisai Co., Ltd. (JP) 2004-01-02 EP disclosed
US-6599917-B1 A squalene-synthesizing enzyme inhibitor, a cholesterol biosynthesis inhibitor and a triglyceride biosynthesis inhibitor EISAI CO., LTD. (JP) 2003-07-29 US disclosed
CN-1377349-A Quinuclidine compound and medicine containing the same as active ingredient EISAI CO LTD (JP) 2002-10-30 CN disclosed
EP-1217001-A1 QUINUCLIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT Eisai Co., Ltd. (JP) 2002-06-26 EP 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-20040072830-A1 N-aryl-substituted cyclic amine derivative and medicine containing the same as active ingredient COASY, HCCS, SQLE BRD4 3066/4885DRD2 4635/4885DRD1 4237/4885

“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.