SCHEMBL1311096

SCHEMBL1311096

COc1ccc2c(c1)C(CCNC(C)=O)CN2

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 16/20 0.62
MTNR1B P49286 13/20 0.62
NQO2 P16083 10/20 0.62
HTR2C P28335 1/20 0.51

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
SCHEMBL14493800 0.84 MTNR1A (0.45) MTNR1AMTNR1BNQO2
SCHEMBL23181344 0.83 ACACB (0.48) MTNR1AMTNR1BNQO2
SCHEMBL13649760 0.82 MTNR1A (0.61) MTNR1AMTNR1BNQO2
SCHEMBL14294856 0.81 NQO2 (0.44) MTNR1AMTNR1BNQO2
SCHEMBL12711174 0.81 NQO2 (0.44) MTNR1AMTNR1BNQO2
SCHEMBL13368590 0.81 KDR (0.43)
SCHEMBL5181902 0.81 MTNR1A (0.69) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL14316576 0.80 MTNR1A (0.41) MTNR1AMTNR1BNQO2
Hydrochloric Acid SCHEMBL5424338 0.80 MTNR1A (0.68) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL13593540 0.79 MTNR1A (0.41) MTNR1AMTNR1BNQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012154807-A1 USE OF JASMONATES FOR MODULATING MELATONIN PRODUCTION AND CALCIFICATION OF THE PINEAL GLAND BROADY HEALTH SCIENCES, LLC (US) 2012-11-15 WO claimed
US-20120288485-A1 USE OF JASMONE FOR MODULATING MELATONIN PRODUCTION AND CALCIFICATION OF THE PINEAL GLAND Broady Health Sciences, LLC. (US) 2012-11-15 US claimed
WO-2005063240-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF HYPERTENSION THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-07-14 WO claimed
US-20050137247-A1 Methods and compositions for treatment of hypertension THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-06-23 US claimed
US-4882137-A MELATONIN GENE LINK AUSTRALIA LIMITED (AU) 1989-11-21 US claimed
WO-2024155777-A2 COMPOSITIONS AND TECHNIQUES FOR TREATMENT OF POLYCYSTIC OVARIAN SYNDROME (PCOS) AND ENDOMETRIOSIS DARE BIOSCIENCE, INC. (US) 2024-07-25 WO disclosed
US-20230256161-A9 Methods and Compositions for Treating a Disease Condition in a Subject Palo Alto Investors LP 2023-08-17 US disclosed
US-11389534-B2 Methods of treating a subject for a condition PALO ALTO INVESTORS (US) 2022-07-19 US disclosed
US-11382513-B2 Methods and compositions for treating a condition in a subject PALO ALTO INVESTORS (US) 2022-07-12 US disclosed
WO-2021062298-A1 BIOMARKER PANEL TARGETED TO DISEASES DUE TO MULTIFACTORIAL ONTOLOGY OF GLYCOCALYX DISRUPTION ARTEREZ, INC. (US) 2021-04-01 WO disclosed
US-10407388-B2 Thiourea derivatives as activators of RORα and pharmaceutical composition containing same SEOUL NATIONAL UNIVERSITY R & DB FOUNDATION (KR) 2019-09-10 US disclosed
US-10086071-B2 Methods of treating a subject for a condition PALO ALTO INVESTORS (US) 2018-10-02 US disclosed
US-20050153885-A1 administering aldosterone antagonists such as spironolactone and eplerenone, to increasing the parasympathetic and sympathetic activity PALO ALTO INVESTORS 2005-07-14 US disclosed
US-20050137247-A1 Methods and compositions for treatment of hypertension THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-06-23 US disclosed
EP-0851855-B9 ACYLATED DERIVATIVES OF MELATONIN AND ITS ANALOGUES, USEFUL AS MEDICAMENTS MACEF (FR) 2003-05-21 EP disclosed
EP-0851855-B1 ACYLATED DERIVATIVES OF MELATONIN AND ITS ANALOGUES, USEFUL AS MEDICAMENTS MACEF (FR) 2002-06-05 EP disclosed
US-6140372-A N-(2-(2-ACETYL-7-METHOXYNAPHTH-1-YL)ETHYL)ACETAMIDE; SEDATIVES; MELATONIN DISORDERS; DRUGS; COSMETICS; ANTIDEPRESSANTS; PSYCHIATRIC DISORDERS, E.G., STRESS, ANXIOLYTIC AGENTS, INSOMNIA, SCHIZOPHRENIA, PSYCHOSIS CEMAF AND LABORATORIES BESINS ISOVESCO S.A. (FR) 2000-10-31 US disclosed
US-6004991-A COMPOUNDS FOR COSMETICS WITH ENANTIOMORPHS CEMAF AND LABORATOIRES BESINS ISCOVESCO S.A. (FR) 1999-12-21 US disclosed
EP-0851855-A1 ACYLATED DERIVATIVES OF MELATONIN AND ITS ANALOGUES, USEFUL AS MEDICAMENTS CEMAF (FR) 1998-07-08 EP disclosed
WO-1997006140-A1 ACYLATED DERIVATIVES OF MELATONIN AND ITS ANALOGUES, USEFUL AS MEDICAMENTS CEMAF (FR) 1997-02-20 WO 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 (3 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-20050137247-A1 Methods and compositions for treatment of hypertension REN, MTNR1A, MTNR1B MTNR1A 2/4885MTNR1B 3/4885NQO2 1987/4885
US-10407388-B2 Thiourea derivatives as activators of RORα and pharmaceutical composition containing same RORA, RORB, ROR1 MTNR1A 319/4885MTNR1B 804/4885NQO2 4195/4885
US-20120288485-A1 USE OF JASMONE FOR MODULATING MELATONIN PRODUCTION AND CALCIFICATION OF THE PINEAL GLAND MTNR1A, NLN, MTNR1B MTNR1A 1/4885MTNR1B 3/4885NQO2 3687/4885

“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.