SCHEMBL120284

SCHEMBL120284

COc1ccc2c(c1)C(=O)CCC2

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.58
MAOA P21397 5/20 0.58
METAP1 P53582 2/20 0.50
ACHE P22303 1/20 0.50
KDM4E B2RXH2 2/20 0.49
HTT P42858 1/20 0.49
CYP2A6 P11509 1/20 0.48
MAPT P10636 1/20 0.48
NPY5R Q15761 1/20 0.46
CYP19A1 P11511 1/20 0.46
HRH3 Q9Y5N1 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
SCHEMBL29726357 1.00 MAOB (0.58) MAOBMAOAMETAP1ACHEKDM4E
SCHEMBL5146484 0.96 MAOB (0.58) MAOBMAOAMETAP1ACHEKDM4E
SCHEMBL29392039 0.89 MAOB (0.54) MAOBMETAP1ACHEKDM4EHTT
SCHEMBL251842 0.89 MAOB (0.54) MAOBMETAP1ACHEKDM4EHTT
SCHEMBL14005914 0.88 MAOA (0.55) MAOBMAOAMETAP1ACHEKDM4E
SCHEMBL115638 0.86 MAOA (0.58) MAOBMAOAMETAP1KDM4EHTT
SCHEMBL27844074 0.83 GSTP1 (0.46) MAOBMAOAKDM4EHTTCYP2A6
SCHEMBL27861252 0.83 GSTP1 (0.46) MAOBMAOAKDM4EHTTCYP2A6
SCHEMBL27784239 0.83 MAOA (0.56) MAOBMAOA
Butane SCHEMBL4688097 0.83 BRD4 (0.52) MAOBMETAP1ACHEKDM4EHTT

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 1178 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119930666-A Doped red organic room-temperature phosphorescent material based on red phosphorescent emitter and preparation method thereof 江西科技师范大学 2025-05-06 CN claimed
CN-119881170-A Agomei Latin intermediate method for detecting related substances in (a) 江苏威奇达药业有限公司 2025-04-25 CN claimed
US-20250075147-A1 FRAGRANCE AND FLAVOR COMPOSITIONS COMPRISING NEW FLAVOR AND FRAGRANCE INGREDIENTS OSMO LABS, PBC 2025-03-06 US claimed
CN-114591727-B Organic long-afterglow luminescent material, preparation and application 中国科学院上海有机化学研究所 2024-06-28 CN claimed
CN-115108928-B Nitrogen mustard-tetralone derivative, preparation method and application thereof 广东海洋大学 2024-06-11 CN claimed
CN-117567321-A Preparation method of 7-methoxy naphthalene acetonitrile 湖南省湘中制药有限公司 2024-02-20 CN claimed
CN-115925530-A 3,4-dihydronaphthalene-1 (2H) -ketone compound, preparation method and application 滨州医学院 2023-04-07 CN claimed
CN-115043742-A Preparation method of dezocine 南京大美生物制药有限公司 2022-09-13 CN claimed
CN-114591727-A Organic long-afterglow luminescent material, preparation and application 中国科学院上海有机化学研究所 2022-06-07 CN claimed
EP-2921473-B1 1-CYAN-1-(7-METHOXYL-1-NAPHTYL) METHANOL ESTER COMPOUND AND PREPARATION METHOD AND USE THEREOF JIANGXI SYNERGY PHARMACEUTICAL CO LTD (CN) 2017-09-27 EP claimed
US-20050182267-A1 Reacting 7-methoxy-1-tetralone with cyanoacetic acid to form intermediate, in presence of catalytic benzylammonium heptanoate, removing water formed, forming 7-methoxy-3,4-dihydro-1-naphthalenyl)acetonitrile, hydrogenating with allyl compound in presence of Pd catalyst; intermediate for agomelatine LES LABORATOIRES SERVIER (FR) 2005-08-18 US claimed
US-20050182268-A1 Process for the synthesis of (7-methoxy-3, 4-dihydro-1-naphthalenyl) acetonitrile and its application in the synthesis of agomelatine LES LABORATOIRES SERVIER (FR) 2005-08-18 US claimed
US-20050182276-A1 Process for the synthesis and crystalline form of agomelatine LES LABORATOIRES SERVIER (FR) 2005-08-18 US claimed
EP-1564202-A1 Novel process for synthesizing and a novel crystal form of agomelatin as well as pharmaceutical preparations containing these LES LABORATOIRES SERVIER (FR) 2005-08-17 EP claimed
EP-1564203-A1 New process for synthesizing (7-methoxy-1-naphtyl)acetonitrile and its application in the synthesis of agomelatine LES LABORATOIRES SERVIER (FR) 2005-08-17 EP claimed
EP-1564204-A1 New process for synthesizing (7-methoxy-3,4-dihydro-1-naphtalenyl) acetonitrile and its application in the synthesis of agomelatine LES LABORATOIRES SERVIER (FR) 2005-08-17 EP claimed
WO-2005026105-A2 PROCESS FOR THE SYNTHESIS OF 3-(3-FLUORO-4-HYDROXYPHENYL)-7-HYDROXYNAPHTHONITRILE WYETH (US) 2005-03-24 WO claimed
US-20050054870-A1 Process for the synthesis of 3-(3-fluoro-4-hydroxyphenyl)-7-hydroxynaphthonitrile WYETH (US) 2005-03-10 US claimed
EP-1107785-A1 METHOD OF DNA VACCINATION GLAXO GROUP LIMITED (GB) 2001-06-20 EP claimed
WO-2000012121-A1 METHOD OF DNA VACCINATION GLAXO GROUP LIMITED (GB) 2000-03-09 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20050182268-A1 Process for the synthesis of (7-methoxy-3, 4-dihydro-1-naphthalenyl) acetonitrile and its application in the synthesis of agomelatine COMT, PNMT, DHPS MAOB 92/4885MAOA 75/4885METAP1 888/4885
US-20050182267-A1 Reacting 7-methoxy-1-tetralone with cyanoacetic acid to form intermediate, in presence of catalytic benzylammonium heptanoate, removing water formed, forming 7-methoxy-3,4-dihydro-1-naphthalenyl)acetonitrile, hydrogenating with allyl compound in presence of Pd catalyst; intermediate for agomelatine HAAO, MC3R, TH MAOB 236/4885MAOA 73/4885METAP1 602/4885
US-20050054870-A1 Process for the synthesis of 3-(3-fluoro-4-hydroxyphenyl)-7-hydroxynaphthonitrile HRH4, HRH1, HRH3 MAOB 1173/4885MAOA 1793/4885METAP1 2646/4885
US-20050182276-A1 Process for the synthesis and crystalline form of agomelatine MTNR1A, MCHR1, MTNR1B MAOB 23/4885MAOA 10/4885METAP1 496/4885

“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.