SCHEMBL1971963

SCHEMBL1971963

COc1ccc2c(c1)c(CCN)cn2C(C)=O

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.72
ADRB2 P07550 1/20 0.65
HTR6 P50406 3/20 0.56
AKR1C3 P42330 8/20 0.54
AKR1C2 P52895 2/20 0.54
MTNR1B P49286 3/20 0.53
NQO2 P16083 1/20 0.53
AKR1C4 P17516 1/20 0.49
PTGS1 P23219 1/20 0.49
HSP90AA1 P07900 1/20 0.48
PPARG P37231 1/20 0.46
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL12352575 0.85 MTNR1A (0.69) MTNR1AHTR6AKR1C3AKR1C2MTNR1B
SCHEMBL30485879 0.85 MTNR1A (0.80) MTNR1AHTR6
SCHEMBL24877705 0.85 MTNR1A (0.80) MTNR1AHTR6
SCHEMBL3224617 0.84 MTNR1A (0.76) MTNR1AAKR1C3MTNR1BNQO2KDM4E
SCHEMBL5616413 0.84 MTNR1A (1.00) MTNR1AHTR6AKR1C3AKR1C2MTNR1B
SCHEMBL4341029 0.82 HTR6 (0.51) MTNR1AADRB2HTR6NPSR1HSD17B10
Oxalic Acid SCHEMBL7438526 0.82 HTR6 (0.73) MTNR1AADRB2HTR6AKR1C3AKR1C2
SCHEMBL29194213 0.81 ADRB2 (0.72) MTNR1AADRB2HTR6MTNR1BNQO2
SCHEMBL28924882 0.80 ALOX5 (0.59) MTNR1AADRB2HTR6AKR1C3AKR1C2
Oxalic Acid SCHEMBL27614859 0.80 ADRB2 (0.62) MTNR1AADRB2HTR6AKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106359566-B A kind of composite preservative of berry and preparation method thereof and application method 南京农业大学 2019-11-08 CN claimed
CN-109566374-A A kind of high yield pea seedlings and its implantation methods 李靖 2019-04-05 CN claimed
CN-109329048-A A kind of test tube seedling of roxburgh anoectochilus terminal bud germplasm grows store method slowly 谭兴江 2019-02-15 CN claimed
CN-109220794-A A kind of ultralow temperature detoxification store method of water chestnut germplasm 尹纪岩 2019-01-18 CN claimed
CN-109053535-A A kind of preparation method of n-acetyl-5-methoxytryptamine 罗田县新普生药业有限公司 2018-12-21 CN claimed
CN-106359566-A Berry composite preservative and preparation method and application method thereof 南京农业大学 2017-02-01 CN claimed
EP-1476152-A4 USE OF MELATONIN ANALOGUES FOR INDUCTION OF GENERAL ANESTHESIA UNIV IOWA RES FOUND (US) 2007-04-11 EP claimed
EP-1476152-A2 USE OF MELATONIN ANALOGUES FOR INDUCTION OF GENERAL ANESTHESIA University of Iowa Research Foundation (US) 2004-11-17 EP claimed
WO-2003070177-A2 USE OF MELATONIN ANALOGUES FOR INDUCTION OF GENERAL ANESTHESIA UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2003-08-28 WO claimed
EP-1326601-A2 THE USE OF MELATONIN FOR INDUCTION OF GENERAL ANESTHESIA University of Iowa Research Foundation (US) 2003-07-16 EP claimed
US-20020120002-A1 Use of melatonin analogues for induction of general anesthesia UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2002-08-29 US claimed
WO-2002024181-A2 THE USE OF MELATONIN FOR INDUCTION OF GENERAL ANESTHESIA UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2002-03-28 WO claimed
WO-1994024865-A1 METHODS FOR CONTROLLING FLOWERING IN PLANTS THE REGENTS OF THE UNIVERSTIY OF CALIFORNIA (US) 1994-11-10 WO claimed
JP-10101644-A None JP disclosed
JP-3145419-A None JP disclosed
EP-4366722-A1 MELAFENOXATE AND DERIVATIVES THEREOF FOR USE IN TREATING CIRCADIAN RHYTHM SLEEP DISORDERS WITH OR WITHOUT NEURODEGENERATIVE DISEASES NLS Pharmaceutics AG (CH) 2024-05-15 EP disclosed
EP-0514373-A1 Use of melatonin for treating pre-menstrual syndrome. AMR INT (US) 1992-11-25 EP disclosed
WO-1991012007-A1 METHOD OF TREATING PRE-MENSTRUAL SYNDROME APPLIED MED RES (US) 1991-08-22 WO disclosed
JP-H03145419-A DRUG OF PREVENTING ULTRAVIOLET LIGHT AGING SHISEIDO CO LTD 1991-06-20 JP disclosed
US-4411881-A Composition and method for stabilizing radiolabeled compounds using thiocarbonylated diethylenetriamines NEW ENGLAND NUCLEAR CORPORATION (US) 1983-10-25 US 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-20020120002-A1 Use of melatonin analogues for induction of general anesthesia MTNR1A, MTNR1B, AANAT MTNR1A 1/4885ADRB2 26/4885HTR6 12/4885

“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.