SCHEMBL1897589

SCHEMBL1897589

[CH2]Cc1cccc2ccc(OC)cc12

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.63
MTNR1A P48039 12/20 0.58
MTNR1B P49286 2/20 0.56
HTR2C P28335 1/20 0.56
HTR2B P41595 1/20 0.56
NQO2 P16083 2/20 0.56

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
SCHEMBL7295488 0.86 MTNR1A (0.56) MTNR1AMTNR1BNQO2
SCHEMBL12013659 0.84 HTR2A (0.65) HTR2AMTNR1AMTNR1BHTR2CHTR2B
SCHEMBL12550704 0.83 HTR2A (0.63) HTR2AMTNR1AMTNR1BHTR2CHTR2B
SCHEMBL28193568 0.83 HTR2A (0.63) HTR2AMTNR1AMTNR1BHTR2CHTR2B
SCHEMBL3327733 0.83 HTR2A (0.63) HTR2AMTNR1AMTNR1BHTR2CHTR2B
SCHEMBL3279789 0.83 HTR2A (0.63) HTR2AMTNR1AMTNR1BHTR2CHTR2B
SCHEMBL827963 0.81 HTR2A (0.70) HTR2AMTNR1AMTNR1BHTR2CHTR2B
SCHEMBL17188138 0.81 HTR2A (0.57) HTR2AMTNR1AMTNR1BHTR2CHTR2B
SCHEMBL14714813 0.80 HTR2A (0.68) HTR2AMTNR1AMTNR1BHTR2CHTR2B
SCHEMBL1882845 0.80 HTR2A (0.68) 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118146110-A N-difluoromethyl carbonyl compound and preparation method thereof 中山大学附属第一医院 2024-06-07 CN claimed
US-8653281-B2 Process for the manufacture of agomelatine and its intermediate NHWA PHARMA. CORPORATION (CN) 2014-02-18 US claimed
CN-103501777-A Pharmaceutically acceptable cocrystal of N- [2- (7-methoxy-1-naphthyl) ethyl ] acetamide and preparation method thereof ZENTIVA KS 2014-01-08 CN claimed
EP-2322508-B1 PROCESS FOR THE MANUFACTURE OF AGOMELATINE AND ITS INTERMEDIATE NHWA PHARMA CORP (CN) 2013-01-02 EP claimed
US-20110130571-A1 PROCESS FOR THE MANUFACTURE OF AGOMELATINE AND ITS INTERMEDIATE NHWA PHARMA. CORPORATION (CN) 2011-06-02 US claimed
EP-2322508-A1 PROCESS FOR THE MANUFACTURE OF AGOMELATINE AND ITS INTERMEDIATE NHWA Pharma. Corporation (CN) 2011-05-18 EP claimed
CN-118146110-A N-difluoromethyl carbonyl compound and preparation method thereof 中山大学附属第一医院 2024-06-07 CN disclosed
EP-3134392-A1 SULFONAMIDE DERIVATIVES AND PHARMACEUTICAL APPLICATIONS THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2017-03-01 EP disclosed
WO-2015158313-A1 SULFONAMIDE DERIVATIVES AND PHARMACEUTICAL APPLICATIONS THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-10-22 WO disclosed
CN-102161658-B N-(naphthoxyalkyl)heteroarylpiperidine compounds and preparation method and applications thereof ZHEJIANG HUAHAI PHARM CO LTD 2015-05-27 CN disclosed
US-8653281-B2 Process for the manufacture of agomelatine and its intermediate NHWA PHARMA. CORPORATION (CN) 2014-02-18 US disclosed
CN-103501777-A Pharmaceutically acceptable cocrystal of N- [2- (7-methoxy-1-naphthyl) ethyl ] acetamide and preparation method thereof ZENTIVA KS 2014-01-08 CN disclosed
EP-2322508-B1 PROCESS FOR THE MANUFACTURE OF AGOMELATINE AND ITS INTERMEDIATE NHWA PHARMA CORP (CN) 2013-01-02 EP disclosed
US-20110130571-A1 PROCESS FOR THE MANUFACTURE OF AGOMELATINE AND ITS INTERMEDIATE NHWA PHARMA. CORPORATION (CN) 2011-06-02 US disclosed
EP-2322508-A1 PROCESS FOR THE MANUFACTURE OF AGOMELATINE AND ITS INTERMEDIATE NHWA Pharma. Corporation (CN) 2011-05-18 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-20110130571-A1 PROCESS FOR THE MANUFACTURE OF AGOMELATINE AND ITS INTERMEDIATE PNMT, INMT, PTMA HTR2A 1021/4885MTNR1A 184/4885MTNR1B 221/4885

“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.