SCHEMBL989652

SCHEMBL989652

COc1ccc2cccc(CC#N)c2c1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.58
MTNR1A P48039 13/20 0.55
MTNR1B P49286 3/20 0.52
HTR2C P28335 1/20 0.52
HTR2B P41595 1/20 0.52
NQO2 P16083 2/20 0.50

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
SCHEMBL30449882 1.00 HTR2A (0.58) HTR2AMTNR1AMTNR1BHTR2CHTR2B
SCHEMBL28070559 1.00 HTR2A (0.58) HTR2AMTNR1AMTNR1BHTR2CHTR2B
SCHEMBL28852792 0.94 HTR2A (0.53) HTR2AMTNR1AMTNR1BHTR2CHTR2B
SCHEMBL3147660 0.90 HTR2A (0.48) HTR2AMTNR1AMTNR1BHTR2CHTR2B
SCHEMBL8933621 0.88 MTNR1A (0.52) MTNR1AMTNR1BNQO2
Trifluoromethanesulfonic Acid SCHEMBL28227878 0.87 MTNR1A (0.53) HTR2AMTNR1AMTNR1BHTR2CHTR2B
SCHEMBL27784397 0.86 HTR2A (0.45) HTR2AMTNR1AMTNR1BHTR2CHTR2B
SCHEMBL15662571 0.85 MTNR1A (0.54) HTR2AMTNR1AMTNR1B
SCHEMBL14005971 0.85 HTR2A (0.56) HTR2AMTNR1AMTNR1BHTR2CHTR2B
SCHEMBL8023255 0.85 HTR2A (0.63) HTR2AMTNR1AMTNR1BHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119707714-A Preparation method of 2- (7-methoxy-1-naphthyl) ethylamine hydrochloride 苏州盛达药业有限公司 2025-03-28 CN claimed
CN-119462500-A Preparation method of 7- (4-chlorobutoxy) -1H-quinolin-2-one 湖南省湘中制药有限公司 2025-02-18 CN claimed
CN-117720424-B Continuous flow preparation method of agomelatine intermediate 江苏威奇达药业有限公司 2024-12-06 CN claimed
CN-118047686-A Preparation method of N, N-di [2- (7-methoxy-1-naphthyl) ethyl ] amine impurity 湖南九维生物医药有限公司 2024-05-17 CN claimed
CN-117776934-A Preparation method of agomelatine intermediate 江苏威奇达药业有限公司 2024-03-29 CN claimed
CN-117720424-A Continuous flow preparation method of agomelatine intermediate 江苏威奇达药业有限公司 2024-03-19 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-113527139-A Method for synthesizing 7-methoxy-1-naphthylacetonitrile and intermediate 上海法默生物科技有限公司 2021-10-22 CN claimed
CN-112574066-A Preparation method of agomelatine intermediate 江苏豪森药业集团有限公司 2021-03-30 CN claimed
CN-111377829-A Preparation method of 7-methoxy-1-naphthylacetonitrile 苏州敬业医药化工有限公司 2020-07-07 CN claimed
WO-2014064706-A1 PROCESSES FOR THE PREPARATION OF AGOMELATINE USING NOVEL INTERMEDIATES SYMED LABS LIMITED (IN) 2014-05-01 WO claimed
EP-2705023-A1 PROCESSES FOR THE PREPARATION OF N-[2-(7-METHOXY-1-NAPHTHYL)ETHYL]ACETAMIDE Symed Labs Limited (IN) 2014-03-12 EP claimed
CN-103113243-A Synthetic method of 2-(7-methoxyl-1-naphthyl) ethylamine hydrochloride SHANDONG FANGMING PHARM GROUP 2013-05-22 CN claimed
CN-101792400-B Synthetic method for agomelatine UNIV EAST CHINA NORMAL 2013-01-30 CN claimed
EP-2151427-B1 New method for synthesising agomelatine SERVIER LAB (FR) 2012-12-19 EP claimed
US-8329947-B2 Process for the synthesis of agomelatine LES LABORATOIRES SERVIER (FR) 2012-12-11 US claimed
WO-2012093402-A1 PROCESSES FOR THE PREPARATION OF N-[2-(7-METHOXY-1-NAPHTHYL)ETHYL]ACETAMIDE SYMED LABS LIMITED (IN) 2012-07-12 WO claimed
WO-2010015744-A1 NOVEL PROCESS FOR THE SYNTHESIS OF AGOMELATINE LES LABORATOIRES SERVIER (FR) 2010-02-11 WO claimed
US-20100036161-A1 Process for the synthesis of agomelatine LES LABORATOIRES SERVIER (FR) 2010-02-11 US claimed
EP-2151427-A1 New method for synthesising agomelatine Les Laboratoires Servier (FR) 2010-02-10 EP 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 (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-20100036161-A1 Process for the synthesis of agomelatine COMT, PNMT, TPH1 HTR2A 49/4885MTNR1A 331/4885MTNR1B 293/4885

“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.