SCHEMBL5229072

SCHEMBL5229072

COc1cccc(Cc2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.49
KDM1A O60341 1/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
PDE10A Q9Y233 2/20 0.46
LTA4H P09960 1/20 0.46
PDE2A O00408 1/20 0.45
MPO P05164 1/20 0.45
KCNH2 Q12809 1/20 0.42
TRPV3 Q8NET8 1/20 0.42
HTT P42858 1/20 0.41
ADORA2A P29274 1/20 0.39
CALM1 P0DP23 1/20 0.39
BTK Q06187 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TXNRD1 Q16881 2/20 0.38
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
LTB4R Q15722 1/20 0.37

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
SCHEMBL14259481 0.86 MPO (0.43) BRD4KDM1AMAOAMAOBPDE10A
SCHEMBL28031732 0.84 MPO (0.49) KDM1AMAOAMAOBMPOKCNH2
SCHEMBL11815651 0.82 BRD4 (0.46) BRD4LTA4HKCNH2TRPV3HTT
SCHEMBL13155262 0.82 MPO (0.40) KDM1AMAOAMAOBMPOKCNH2
SCHEMBL24754816 0.80 TRPV3 (0.57) BRD4MAOBKCNH2TRPV3HTT
SCHEMBL18586953 0.80 MPO (0.56) KDM1AMAOAMAOBMPOKCNH2
SCHEMBL11330543 0.80 KCNH2 (0.62) BRD4MAOAMAOBKCNH2ADORA2A
SCHEMBL11674991 0.77 CYSLTR1 (0.46) PDE10APDE2A
SCHEMBL160602 0.77 BTK (0.47) KDM1AMAOAMAOBBTKALDH1A1
SCHEMBL217520 0.76 KDM1A (0.45) KDM1AMAOAMAOBPDE10AMPO

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 3066/4885KDM1A 980/4885MAOA 106/4885

“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.