SCHEMBL3082824

SCHEMBL3082824

CCOc1cc2c(cc1OCC)C(=O)CC2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.54
ABCC4 O15439 1/20 0.44
ABCB11 O95342 1/20 0.44
CHRM2 P08172 1/20 0.44
ADRA2A P08913 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CHRM1 P11229 1/20 0.44
PTGS1 P23219 1/20 0.44
PDE4A P27815 1/20 0.44
SLC6A4 P31645 1/20 0.44
KCNH2 Q12809 1/20 0.44
PDE4D Q08499 2/20 0.43
BRD4 O60885 1/20 0.43
S1PR1 P21453 1/20 0.40
PTGS2 P35354 1/20 0.40
HSD17B1 P14061 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
PBRM1 Q86U86 1/20 0.39

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
SCHEMBL9620680 0.89 ACHE (0.51) ACHEABCC4ABCB11CHRM2ADRA2A
SCHEMBL17043164 0.86 ACHE (0.42) ACHEABCC4ABCB11CHRM2ADRA2A
SCHEMBL27029704 0.86 HTR2A (0.43) ACHEABCC4ABCB11CHRM2ADRA2A
SCHEMBL30701777 0.86 HTR2A (0.43) ACHEABCC4ABCB11CHRM2ADRA2A
SCHEMBL3083342 0.86 HSD17B1 (0.46) ACHEPDE4DBRD4HSD17B1ALDH1A1
SCHEMBL17043171 0.86 BRD4 (0.41) ACHEBRD4PTGS2HSD17B1PBRM1
SCHEMBL11811840 0.84 BRD4 (0.46) ACHEBRD4PTGS2MAOBHRH3
SCHEMBL19607444 0.84 ACHE (0.42) ACHEABCC4ABCB11CHRM2ADRA2A
SCHEMBL9741669 0.82 TUBB4A (0.38) ACHEBRD4PTGS2HSD17B1KDM4E
SCHEMBL3965311 0.81 MAOB (0.38) ACHESLC6A4BRD4PTGS2KMT2A

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220265685-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION THE JOHNS HOPKINS UNIVERSITY 2022-08-25 US disclosed
EP-2913324-B1 FLUORINE SUBSTITUTED CYCLIC AMINE COMPOUNDS AND PREPARATION METHODS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2017-12-20 EP disclosed
US-9637454-B2 Fluorine substituted cyclic amine compounds and preparation methods, pharmaceutical compositions, and uses thereof SHANGHAI INSTITUTE OF MATERIA MADICA, CHINESE ACADEMY OF SCIENCES (CN) 2017-05-02 US disclosed
US-20150284331-A1 FLUORINE SUBSTITUTED CYCLIC AMINE COMPOUNDS AND PREPARATION METHODS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2015-10-08 US disclosed
EP-2913324-A1 FLUORINE SUBSTITUTED CYCLIC AMINE COMPOUNDS AND PREPARATION METHODS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2015-09-02 EP disclosed
US-7795440-B2 N-substituted tricyclic 1-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders JANSSEN PHARMACEUTICA NV (BE) 2010-09-14 US disclosed
US-7795440-B2 N-substituted tricyclic 1-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders JANSSEN PHARMACEUTICA NV (BE) 2010-09-14 US disclosed
US-20090137629-A1 Sigma receptor binding agent containing indanone derivative IIMURA YOICHI 2009-05-28 US disclosed
EP-1506175-B1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-04-01 EP disclosed
CN-100396670-C N-substituted 3-aminobenzene-pyrazoles as PDFG receptor inhibitors, pharmaceutical compositions and uses JANSSEN PHARMACEUTICA NV (BE) 2008-06-25 CN disclosed
US-20050107432-A1 Sigma receptor binder containing indanone derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-05-19 US disclosed
EP-1047674-B1 PROCESS FOR PRODUCTION OF DONEPEZIL DERIVATIVES EISAI CO LTD (JP) 2005-03-30 EP disclosed
EP-1506175-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-16 EP disclosed
US-20040259904-A1 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBVIE INC. 2004-12-23 US disclosed
EP-1468684-A1 SIGMA RECEPTOR BINDER CONTAINING INDANONE DERIVATIVE Eisai Co., Ltd. (JP) 2004-10-20 EP disclosed
WO-2004080973-A1 FUSED TRI AND TETRA-CYCLIC PYRAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-09-23 WO disclosed
US-20040082639-A1 N-substituted tricyclic 3-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders JANSSEN PHARMACEUTICA, N.V. (BE) 2004-04-29 US disclosed
WO-2003097609-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDFG RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2003-11-27 WO disclosed
EP-1047674-A1 PROCESS FOR PRODUCTION OF DONEPEZIL DERIVATIVES Eisai Co., Ltd. (JP) 2000-11-02 EP disclosed
WO-1999036405-A1 PROCESS FOR PRODUCTION OF DONEPEZIL DERIVATIVE EISAI CO., LTD. (JP) 1999-07-22 WO 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 (6 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-20040082639-A1 N-substituted tricyclic 3-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders PDGFRA, PDGFRB, PDGFA ACHE 4811/4885ABCC4 3464/4885ABCB11 3235/4885
US-20090137629-A1 Sigma receptor binding agent containing indanone derivative SIGMAR1, TMEM97, OPRK1 ACHE 608/4885ABCC4 1798/4885ABCB11 1172/4885
US-20220265685-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION BACE1, BACE2, ACHE ACHE 3/4885ABCC4 2107/4885ABCB11 2838/4885
US-20150284331-A1 FLUORINE SUBSTITUTED CYCLIC AMINE COMPOUNDS AND PREPARATION METHODS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF ACHE, BCHE, CHRM3 ACHE 1/4885ABCC4 672/4885ABCB11 169/4885
US-20040259904-A1 Fused tri and tetra-cyclic pyrazole kinase inhibitors TK1, MAP3K19, MAP3K20 ACHE 4778/4885ABCC4 4029/4885ABCB11 4364/4885
US-20050107432-A1 Sigma receptor binder containing indanone derivative SIGMAR1, OPRK1, TMEM97 ACHE 2667/4885ABCC4 375/4885ABCB11 1001/4885

“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.