SCHEMBL677517

SCHEMBL677517

COc1cc2c(CCNC(C)=O)c[nH]c2cc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 17/20 1.00
MTNR1B P49286 16/20 1.00
CYP1A2 P05177 4/20 1.00
CYP3A4 P08684 4/20 1.00
CYP2D6 P10635 4/20 1.00
HTR2B P41595 3/20 1.00
MEN1 O00255 2/20 1.00
KMT2A Q03164 2/20 1.00
LMNA P02545 1/20 1.00
CYP2C9 P11712 1/20 1.00
NFKB1 P19838 1/20 1.00
MAPK1 P28482 1/20 1.00
SLC6A4 P31645 1/20 1.00
CYP2C19 P33261 1/20 1.00
THPO P40225 1/20 1.00
HIF1A Q16665 1/20 1.00
KDM4E B2RXH2 3/20 0.76
HPGD P15428 3/20 0.76
HSD17B10 Q99714 2/20 0.76
NPSR1 Q6W5P4 2/20 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
SCHEMBL29424273 1.00 MTNR1A (1.00) MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6
SCHEMBL26187597 0.93 MTNR1A (0.87) MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6
SCHEMBL1773582 0.90 MTNR1A (1.00) MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6
SCHEMBL11619446 0.89 MTNR1A (0.80) MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6
SCHEMBL7891034 0.88 MTNR1A (0.79) MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6
SCHEMBL9119776 0.87 MTNR1A (0.77) MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6
SCHEMBL29575897 0.86 MTNR1A (1.00) MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6
SCHEMBL674970 0.86 MTNR1A (1.00) MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6
SCHEMBL8041780 0.86 MTNR1A (0.83) MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6
SCHEMBL6949528 0.85 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 349 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108699056-A Method for treating atopic dermatitis 江伯伦 2018-10-23 CN claimed
US-20180296530-A1 METHOD FOR TREATING ATOPIC DERMATITIS CHIANG BOR LUEN (TW) 2018-10-18 US claimed
WO-2017107567-A1 METHOD FOR TREATING ATOPIC DERMATITIS CHIANG BOR-LUEN (CN) 2017-06-29 WO claimed
US-20160008325-A1 ISCHEMIA/REPERFUSION PROTECTION COMPOSITIONS AND METHODS OF USING NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-14 US claimed
WO-2012170599-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION BRAINCELLS, INC. (US) 2012-12-13 WO claimed
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
US-20110319386-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION BRAINCELLS INC. (US) 2011-12-29 US claimed
EP-2275095-A2 Neurogenesis by muscarinic receptor modulation Braincells, Inc. (US) 2011-01-19 EP claimed
EP-2275096-A2 Neurogenesis via modulation of the muscarinic receptors Braincells, Inc. (US) 2011-01-19 EP 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
CN-1177978-A Stimulation of meiosis NOVO NORDISK AS (DK) 1998-04-01 CN claimed
EP-0813595-A1 STIMULATION OF MEIOSIS NOVO NORDISK A/S (DK) 1997-12-29 EP claimed
EP-0513702-B1 Melatonin derivaties for use in the therapy of sleep disorders and in pre-anaesthetic medication I F L O ISTITUTO FARMACOLOGICO (IT) 1996-09-18 EP claimed
WO-1996027658-A1 STIMULATION OF MEIOSIS NOVO NORDISK A/S (DK) 1996-09-12 WO claimed
US-5430029-A Pharmaceutical compositions active in the therapy of sleep disorders IFLO-ISTITUTO FARMACOLOGICO LOMBARDO S.A.S. DI GIORGIO E ALD. LAGUZZI (IT) 1995-07-04 US claimed
EP-0513702-A2 Melatonin derivaties for use in the therapy of sleep disorders and in pre-anaesthetic medication I.F.L.O. ISTITUTO FARMACOLOGICO LOMBARDO S.A.S. di Giorgio & Aldo Laguzzi & C. (IT) 1992-11-19 EP claimed
US-4997845-A β-alkylmelatonins as ovulation inhibitors ELI LILLY AND COMPANY (US) 1991-03-05 US claimed
US-4882137-A MELATONIN GENE LINK AUSTRALIA LIMITED (AU) 1989-11-21 US 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-20110319386-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION CHRNB2, CHAT, CHRNB4 MTNR1A 51/4885MTNR1B 70/4885CYP1A2 4444/4885
US-20050137247-A1 Methods and compositions for treatment of hypertension REN, MTNR1A, MTNR1B MTNR1A 2/4885MTNR1B 3/4885CYP1A2 914/4885
US-20180296530-A1 METHOD FOR TREATING ATOPIC DERMATITIS MTNR1A, MTNR1B, TSLP MTNR1A 1/4885MTNR1B 2/4885CYP1A2 518/4885
US-20120288485-A1 USE OF JASMONE FOR MODULATING MELATONIN PRODUCTION AND CALCIFICATION OF THE PINEAL GLAND MTNR1A, NLN, MTNR1B MTNR1A 1/4885MTNR1B 3/4885CYP1A2 2079/4885

“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.