SCHEMBL5230922

SCHEMBL5230922

C(#CC1CC2CCN1CC2)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.41
CHRNA7 P36544 2/20 0.41
CHRNA4 P43681 2/20 0.41
CHRNA1 P02708 1/20 0.41
CHRNG P07510 1/20 0.41
CHRNB1 P11230 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRND Q07001 1/20 0.41
KCNH2 Q12809 1/20 0.41
APP P05067 1/20 0.38
GRM5 P41594 2/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
CPT1A P50416 2/20 0.34
CPT2 P23786 1/20 0.34
CPT1B Q92523 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
SLC18A3 Q16572 3/20 0.33

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
SCHEMBL6817171 0.69 CHRNB2 (0.32) CHRNB2CHRNA7CHRNA4
SCHEMBL18626138 0.68 APP (0.52) KCNH2APPGRM5FFAR1
SCHEMBL2565461 0.68 APP (0.52) KCNH2APPGRM5FFAR1
SCHEMBL11232546 0.65 FFAR1 (0.53) KCNH2APPGRM5FFAR1
SCHEMBL15266861 0.65 FFAR1 (0.49) KCNH2APPGRM5FFAR1
SCHEMBL27699588 0.64 APP (0.42) CHRNB2CHRNA7CHRNA4CHRNA1CHRNG
SCHEMBL11225320 0.63 CYP1A2 (0.55) KCNH2APPGRM5HRH3FFAR1
SCHEMBL8752132 0.63 CYP1A2 (0.55) KCNH2APPGRM5HRH3FFAR1
SCHEMBL5228523 0.63 CHRNA7 (0.62) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL5015153 0.62 GRM5 (0.50) GRM5FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 CHRNB2 521/4885CHRNA7 594/4885CHRNA4 1404/4885

“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.