SCHEMBL674970

SCHEMBL674970

COc1cc2c(CCNC(C)=O)c[nH]c2cc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 15/20 1.00
MTNR1B P49286 14/20 1.00
CYP1A2 P05177 6/20 1.00
CYP3A4 P08684 4/20 1.00
CYP2D6 P10635 4/20 1.00
KDM4E B2RXH2 3/20 1.00
HPGD P15428 3/20 1.00
HSD17B10 Q99714 2/20 1.00
NPSR1 Q6W5P4 2/20 1.00
APEX1 P27695 1/20 1.00
HTR2B P41595 3/20 0.76
MEN1 O00255 3/20 0.76
KMT2A Q03164 3/20 0.76
LMNA P02545 2/20 0.76
CYP2C19 P33261 2/20 0.76
CYP2C9 P11712 1/20 0.76
NFKB1 P19838 1/20 0.76
MAPK1 P28482 1/20 0.76
SLC6A4 P31645 1/20 0.76
THPO P40225 1/20 0.76

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
SCHEMBL29575897 1.00 MTNR1A (1.00) MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6
Sulfuric Acid SCHEMBL2468595 0.95 MTNR1A (0.91) MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6
SCHEMBL31543696 0.95 MTNR1A (0.91) MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6
SCHEMBL9189819 0.95 MTNR1A (0.91) MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6
SCHEMBL1773582 0.91 MTNR1A (1.00) MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6
SCHEMBL8041780 0.88 MTNR1A (0.83) MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6
SCHEMBL677517 0.86 MTNR1A (1.00) MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6
SCHEMBL6949528 0.86 MTNR1A (0.81) MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6
SCHEMBL1772618 0.86 HTR2B (1.00) MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6
SCHEMBL8053222 0.86 MTNR1A (0.81) MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4679087-A1 BIOMARKER AND USE THEREOF MEIJI CO., LTD (JP) 2026-01-14 EP claimed
EP-4566449-A1 HERBICIDE COMPOSITION COMPRISING URACIL COMPOUND COMPRISING CARBOXYLATE FRAGMENT AND USE OF HERBICIDE COMPOSITION Jiangsu Flag Chemical Industry Co., Ltd (CN) 2025-06-11 EP claimed
US-20250176550-A1 HERBICIDE COMPOSITION OF URACIL COMPOUND CONTAINING CARBOXYLATE FRAGMENT AND THE USE THEREOF JIANGSU FLAG CHEMICAL INDUSTRY CO., LTD. (CN) 2025-06-05 US claimed
US-12178800-B2 Sulforaphane-melatonin-like compound PERPETUUM VENTURES NV (BE) 2024-12-31 US claimed
WO-2024190663-A1 BIOMARKER AND USE THEREOF 株式会社明治 2024-09-19 WO claimed
CN-114813989-B Method for simultaneously extracting and detecting melatonin, N-acetylserotonin, 6-hydroxy melatonin, cortisol and cortisone in hair 东南大学 2023-12-29 CN claimed
CN-116699003-B Circadian rhythm body fluid marker combination and UPLC-MS/MS detection method thereof 中国民用航空局民用航空医学中心 2023-12-26 CN claimed
CN-116699003-A Circadian rhythm body fluid marker combination and UPLC-MS/MS detection method thereof 中国民用航空局民用航空医学中心 2023-09-05 CN claimed
CN-116660543-A Diagnostic and prognostic markers for nonalcoholic fatty liver disease and uses thereof 中国人民解放军陆军军医大学第一附属医院 2023-08-29 CN claimed
US-20230157286-A1 METHODS FOR INCREASING SECONDARY METABOLITE PRODUCTION IN CANNABIS ABSTRAX TECH INC (US) 2023-05-25 US claimed
EP-0566566-A1 COMPOSITIONS AND METHODS FOR ALLEVIATING MENOPAUSAL SYMPTOMS. APPLIED MED RES LTD (US) 1993-10-27 EP claimed
CN-1063415-A The preparation of compositions method of alleviating menopausal symptom APPLIED MED RES LTD (US) 1992-08-12 CN claimed
WO-1992011855-A1 COMPOSITIONS AND METHODS FOR ALLEVIATING MENOPAUSAL SYMPTOMS APPLIED MEDICAL RESEARCH, LTD. (US) 1992-07-23 WO claimed
EP-0214254-B1 MELATONIN COMPOSITIONS AND USES THEREOF CELLENA (CELL ENGINEERING) A.G. (CH) 1992-06-17 EP claimed
EP-0472628-A1 USE OF MELATONIN DERIVATIVES FOR EFFECTING CONTRACEPTION APPLIED MEDICAL RESEARCH, LTD. (US) 1992-03-04 EP claimed
CN-1047974-A Compositions and methods for effecting contraception COHEN MICHAEL (NL) 1990-12-26 CN claimed
WO-1990014084-A1 USE OF MELATONIN DERIVATIVES FOR EFFECTING CONTRACEPTION COHEN MICHAEL (NL) 1990-11-29 WO claimed
US-4746674-A Melatonin compositions and uses thereof CELLENA (CELL ENGINEERING) AG (CH) 1988-05-24 US claimed
EP-0229131-A1 USE OF MELATONIN OR RELATED COMPOUNDS FOR THE TREATMENT OF PSORIASIS CELLENA (CELL ENGENEERING) A.G. (CH) 1987-07-22 EP claimed
WO-1987000432-A2 USE OF MELATONIN OR RELATED COMPOUNDS FOR THE TREATMENT OF PSORIASIS CELLENA (CELL ENGINEERING) A.G. (CH) 1987-01-29 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 (2 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-12178800-B2 Sulforaphane-melatonin-like compound MTNR1B, MTNR1A, HNMT MTNR1A 2/4885MTNR1B 1/4885CYP1A2 2461/4885
US-20250176550-A1 HERBICIDE COMPOSITION OF URACIL COMPOUND CONTAINING CARBOXYLATE FRAGMENT AND THE USE THEREOF UNG, DDT, DPYD MTNR1A 4507/4885MTNR1B 4112/4885CYP1A2 1426/4885

“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.