SCHEMBL3508630

SCHEMBL3508630

COc1ccc2[nH]c(-c3ccccc3)c(CCNC(C)=O)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 1.00
MTNR1B P49286 10/20 1.00
CYP1A2 P05177 2/20 1.00
CYP3A4 P08684 2/20 1.00
CYP2D6 P10635 2/20 1.00
CYP2C9 P11712 2/20 1.00
CYP2C19 P33261 2/20 1.00
KDM4E B2RXH2 2/20 1.00
ALDH1A1 P00352 2/20 1.00
HPGD P15428 2/20 1.00
HSD17B10 Q99714 2/20 1.00
NQO2 P16083 1/20 0.72
TSHR P16473 1/20 0.72
POLB P06746 1/20 0.71
MDM2 Q00987 1/20 0.71

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
SCHEMBL29759426 1.00 MTNR1A (1.00) MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6
SCHEMBL13436463 0.98 MTNR1A (1.00) MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6
SCHEMBL13436465 0.94 MTNR1A (0.88) MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6
SCHEMBL13436444 0.93 MTNR1A (0.88) MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6
SCHEMBL13436443 0.92 MTNR1A (0.86) MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6
SCHEMBL13436479 0.90 MTNR1A (0.83) MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6
SCHEMBL13462138 0.90 MTNR1A (0.82) MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6
SCHEMBL3589948 0.90 MTNR1A (0.82) MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6
SCHEMBL13436478 0.90 MTNR1A (0.81) MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6
SCHEMBL13436473 0.89 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 111 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119633001-A Application and method of gastrodin in preparation of MT1 agonist with selectivity 昆明理工大学 2025-03-18 CN claimed
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-20090306137-A1 TREATMENT FOR DEPRESSIVE DISORDERS VANDA PHARMACEUTICALS, INC. 2009-12-10 US claimed
EP-2029136-A1 TREATMENT FOR DEPRESSIVE DISORDERS Vanda Pharmaceuticals Inc. (US) 2009-03-04 EP claimed
WO-2007137227-A1 TREATMENT FOR DEPRESSIVE DISORDERS VANDA PHARMACEUTICALS, INC. (US) 2007-11-29 WO claimed
WO-2007137224-A2 METHOD OF TREATMENT VANDA PHARMACEUTICALS, INC. (US) 2007-11-29 WO 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
US-6638966-B2 2-tri-halo-1-methyl-N-acetyl-5-methoxytryptamine and a carrier UNIVERSITY OF IOWA RESEARCH FOUNDATION 2003-10-28 US 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-4706758-A2 METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2026-03-11 EP disclosed
CN-119633001-A Application and method of gastrodin in preparation of MT1 agonist with selectivity 昆明理工大学 2025-03-18 CN disclosed
EP-4502609-A2 DETERMINING A CIRCADIAN RHYTHM Vanda Pharmaceuticals Inc. (US) 2025-02-05 EP disclosed
US-12201604-B2 Treatment of circadian rhythm disorders VANDA PHARMACEUTICALS INC. (US) 2025-01-21 US disclosed
EP-0769024-A4 HIGH-AFFINITY MELATONIN RECEPTORS AND USES THEREOF GEN HOSPITAL CORP (US) 1999-06-30 EP disclosed
EP-0769024-A1 HIGH-AFFINITY MELATONIN RECEPTORS AND USES THEREOF THE GENERAL HOSPITAL CORPORATION (US) 1997-04-23 EP disclosed
US-5552428-A ANTIARRHYTHMIA AGENTS FOR CARDIOVASCULAR DISORDERS USING MELATONIN DERIVATIVES INSTITUTO FARMACOLOGICO LOMBARDO-IFLO, S.A.S. (IT) 1996-09-03 US disclosed
WO-1995035320-A1 HIGH-AFFINITY MELATONIN RECEPTORS AND USES THEREOF THE GENERAL HOSPITAL CORPORATION (US) 1995-12-28 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 (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-12201604-B2 Treatment of circadian rhythm disorders CRY1, PER2, CRY2 MTNR1A 4/4885MTNR1B 5/4885CYP1A2 256/4885
US-20180296530-A1 METHOD FOR TREATING ATOPIC DERMATITIS MTNR1A, MTNR1B, TSLP MTNR1A 1/4885MTNR1B 2/4885CYP1A2 518/4885

“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.