SCHEMBL5962445

SCHEMBL5962445

COc1cc2c(cc1OC)CN(C(C)(C)C)CC2

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.61
MAOA P21397 2/20 0.61
SLC6A4 P31645 1/20 0.61
PDE4D Q08499 1/20 0.54
CA7 P43166 1/20 0.53
KMT2A Q03164 2/20 0.49
ABCB1 P08183 1/20 0.49
MEN1 O00255 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
MAPT P10636 2/20 0.47
GAA P10253 2/20 0.47
TSHR P16473 1/20 0.47
KDM4E B2RXH2 1/20 0.47
RAB9A P51151 1/20 0.47
RAD52 P43351 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL13403850 0.90 MAOB (0.50) MAOBMAOASLC6A4PDE4DCA7
SCHEMBL10383141 0.87 MAOB (0.50) MAOBMAOASLC6A4PDE4DCA7
SCHEMBL13033081 0.78 DRD1 (0.54)
SCHEMBL586982 0.76 CHRNB2 (0.38) MAOBMAOASLC6A4PDE4DCA7
SCHEMBL30634713 0.76 MAOB (1.00) MAOBMAOASLC6A4PDE4DCA7
SCHEMBL10804959 0.76 CA7 (0.50) MAOBMAOASLC6A4PDE4DCA7
SCHEMBL5525085 0.76 MAOB (1.00) MAOBMAOASLC6A4PDE4DCA7
SCHEMBL14163680 0.76 MAOB (0.67) MAOBMAOASLC6A4PDE4DCA7
SCHEMBL11169272 0.74 MAOA (0.84) MAOBMAOASLC6A4PDE4DCA7
SCHEMBL23901650 0.74 MAOB (0.65) MAOBMAOASLC6A4PDE4DCA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219894-A1 DISUBSTITUTED ADAMANTYL DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION FOR SUPPRESSING CANCER GROWTH COMPRISING SAME AS ACTIVE INGREDIENT ONECUREGEN CO., LTD. (KR) 2023-07-13 US disclosed
US-20230219894-A1 DISUBSTITUTED ADAMANTYL DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION FOR SUPPRESSING CANCER GROWTH COMPRISING SAME AS ACTIVE INGREDIENT ONECUREGEN CO., LTD. (KR) 2023-07-13 US disclosed
US-10172821-B2 Histone deacetylase inhibitors President & Fellows of Harvard College Dana-Farber Cancer Institute, Inc. (US) 2019-01-08 US disclosed
US-20170360740-A1 HISTONE DEACETYLASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. 2017-12-21 US disclosed
US-9724321-B2 Histone deacetylase inhibitors PRESIDENT & FELLOWS OF HARVARD COLLEGE (US) 2017-08-08 US disclosed
US-9119822-B2 Use of PDE7 inhibitors for the treatment of movement disorders OMEROS CORPORATION (US) 2015-09-01 US disclosed
US-8906913-B2 Azabicyclohexanes PANACEA BIOTEC LIMITED (IN) 2014-12-09 US disclosed
US-8778956-B2 Hydroxy alkyl substituted 1,3,8-triazaspiro[4.5]decan-4-one derivatives useful for the treatment of ORL-1 receptor mediated disorders JANSSEN PHARMACEUTICA NV (BE) 2014-07-15 US disclosed
US-20140179717-A1 Use of PDE7 Inhibitors for the Treatment of Movement Disorders OMEROS CORPORATION (US) 2014-06-26 US disclosed
US-8383855-B2 Histone deacetylase inhibitors PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-02-26 US disclosed
US-7582649-B2 Oral administration of a dosage of 3-(3-amino-2-(R)-hydroxy-propyl)-1-(4-fluoro-phenyl)-8-(8-methyl-naphthalen-1-ylmethyl)-1,3,8-triaza-spiro[4.5]decan-4-one and a carrier; opiod receptor-like-1 G-protein coupled receptor inhibitors; psychological disorders; nervous system disorders; antidiabetic agents JANSSEN PHARMACEUTICA, NV (BE) 2009-09-01 US disclosed
US-20090209590-A1 Histone Deacetylase and Tubulin Deacetylase Inhibitors PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2009-08-20 US disclosed
US-20090124614-A1 HYDROXY ALKYL SUBSTITUTED 1,3,8-TRIAZASPIRO[4.5]DECAN-4-ONE DERIVATIVES USEFUL FOR THE TREATMENT OF ORL-1 RECEPTOR MEDIATED DISORDERS BATTISTA KATHLEEN 2009-05-14 US disclosed
US-7485641-B2 Substituted 3-amino-pyrrolidino-4-lactams PFIZER, INC. (US) 2009-02-03 US disclosed
US-20080269245-A1 Dioxanes and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2008-10-30 US disclosed
US-20080269245-A1 Dioxanes and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2008-10-30 US disclosed
US-20080132459-A1 Inhibitors of Histone Deacetylase METHYLGENE, INC. (CA) 2008-06-05 US disclosed
US-20070299076-A1 Substituted 3-Amino-Pyrrolidino-4-Lactams PFIZER INC 2007-12-27 US disclosed
US-7244853-B2 Dioxanes and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-07-17 US disclosed
US-20040072849-A1 Dioxanes and uses thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-04-15 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 (10 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-20080132459-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 MAOB 2499/4885MAOA 1961/4885SLC6A4 4683/4885
US-20090209590-A1 Histone Deacetylase and Tubulin Deacetylase Inhibitors HDAC6, HDAC1, HDAC5 MAOB 2171/4885MAOA 2502/4885SLC6A4 4543/4885
US-20170360740-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC7 MAOB 372/4885MAOA 174/4885SLC6A4 4556/4885
US-20140179717-A1 Use of PDE7 Inhibitors for the Treatment of Movement Disorders PARK7, PDE7B, PDE7A MAOB 92/4885MAOA 156/4885SLC6A4 351/4885
US-20040072849-A1 Dioxanes and uses thereof UTS2R, HDAC5, AMDHD2 MAOB 2169/4885MAOA 2076/4885SLC6A4 4403/4885
US-20230219894-A1 DISUBSTITUTED ADAMANTYL DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION FOR SUPPRESSING CANCER GROWTH COMPRISING SAME AS ACTIVE INGREDIENT AK2, CS, GOT2 MAOB 4281/4885MAOA 3992/4885SLC6A4 1441/4885
US-20070299076-A1 Substituted 3-Amino-Pyrrolidino-4-Lactams PRMT1, PRMT7, PRMT3 MAOB 2168/4885MAOA 3074/4885SLC6A4 2307/4885
US-20090124614-A1 HYDROXY ALKYL SUBSTITUTED 1,3,8-TRIAZASPIRO[4.5]DECAN-4-ONE DERIVATIVES USEFUL FOR THE TREATMENT OF ORL-1 RECEPTOR MEDIATED DISORDERS OPRL1, ADRA1D, OPRD1 MAOB 1019/4885MAOA 369/4885SLC6A4 408/4885
US-20080269245-A1 Dioxanes and uses thereof UTS2R, MAN2B2, AMDHD2 MAOB 1855/4885MAOA 1810/4885SLC6A4 4110/4885
US-10172821-B2 Histone deacetylase inhibitors HDAC1, HDAC11, HDAC7 MAOB 372/4885MAOA 174/4885SLC6A4 4556/4885

“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.