SCHEMBL678611

SCHEMBL678611

COc1cc2c([C@@H](C)CNC(C)=O)c[nH]c2cc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 13/20 1.00
MTNR1B P49286 13/20 1.00
CYP1A2 P05177 2/20 0.61
CYP3A4 P08684 2/20 0.61
CYP2D6 P10635 2/20 0.61
HTR2B P41595 2/20 0.61
MAPK1 P28482 2/20 0.61
MEN1 O00255 1/20 0.61
LMNA P02545 1/20 0.61
CYP2C9 P11712 1/20 0.61
NFKB1 P19838 1/20 0.61
SLC6A4 P31645 1/20 0.61
CYP2C19 P33261 1/20 0.61
THPO P40225 1/20 0.61
KMT2A Q03164 1/20 0.61
HIF1A Q16665 1/20 0.61
KDM4E B2RXH2 2/20 0.46
HPGD P15428 1/20 0.46
APEX1 P27695 1/20 0.46
NPSR1 Q6W5P4 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
SCHEMBL1539259 1.00 MTNR1A (1.00) MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6
SCHEMBL29424270 1.00 MTNR1A (1.00) MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6
SCHEMBL9671595 1.00 MTNR1A (1.00) MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6
SCHEMBL7056295 0.89 MTNR1A (0.80) MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6
SCHEMBL7056004 0.89 MTNR1A (0.80) MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6
SCHEMBL7051405 0.88 MTNR1A (0.78) MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6
SCHEMBL4967386 0.86 MTNR1A (0.76) MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6
SCHEMBL13390756 0.86 MTNR1A (0.76) MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6
SCHEMBL18222529 0.86 MTNR1A (0.76) MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6
SCHEMBL4963214 0.86 MTNR1A (0.76) 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 102 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3217973-A1 MELATONIN IN AUTOIMMUNE DISEASE The Brigham and Women's Hospital, Inc. (US) 2017-09-20 EP claimed
WO-2016077654-A1 MELATONIN IN AUTOIMMUNE DISEASE THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2016-05-19 WO claimed
EP-2275096-A2 Neurogenesis via modulation of the muscarinic receptors Braincells, Inc. (US) 2011-01-19 EP claimed
EP-2275095-A2 Neurogenesis by muscarinic receptor modulation Braincells, Inc. (US) 2011-01-19 EP claimed
EP-2258359-A2 Neurogenesis by muscarinic receptor modulation with sabcomelin Braincells, Inc. (US) 2010-12-08 EP claimed
EP-2258357-A2 Neurogenesis with acetylcholinesterase inhibitor Braincells, Inc. (US) 2010-12-08 EP claimed
EP-1898906-A2 METHODS OF TREATMENT UTILIZING CERTAIN MELATONIN DERIVATIVES Phase 2 Discovery (US) 2008-03-19 EP claimed
WO-2006105455-A2 METHODS OF TREATMENT UTILIZING CERTAIN MELATONIN DERIVATIVES PHASE 2 DISCOVERY (US) 2006-10-05 WO claimed
US-20060223877-A1 Methods of treatment utilizing certain melatonin derivatives PHASE 2 DISCOVERY, INC. 2006-10-05 US claimed
US-12201604-B2 Treatment of circadian rhythm disorders VANDA PHARMACEUTICALS INC. (US) 2025-01-21 US disclosed
US-20240156775-A1 TREATMENT OF CIRCADIAN RHYTHM DISORDERS VANDA PHARMACEUTICALS INC. 2024-05-16 US disclosed
US-11918557-B2 Treatment of circadian rhythm disorders VANDA PHARMACEUTICALS INC. (US) 2024-03-05 US disclosed
US-11845990-B2 Prediction of sleep parameter and response to sleep-inducing compound based on PER3 VNTR genotype VANDA PHARMACEUTICALS INC. (US) 2023-12-19 US disclosed
US-20230210810-A1 TREATMENT OF CIRCADIAN RHYTHM DISORDERS VANDA PHARMACEUTICALS INC. 2023-07-06 US disclosed
WO-2006105455-A2 METHODS OF TREATMENT UTILIZING CERTAIN MELATONIN DERIVATIVES PHASE 2 DISCOVERY (US) 2006-10-05 WO disclosed
WO-2006105455-A2 METHODS OF TREATMENT UTILIZING CERTAIN MELATONIN DERIVATIVES PHASE 2 DISCOVERY (US) 2006-10-05 WO disclosed
US-20060223877-A1 Methods of treatment utilizing certain melatonin derivatives PHASE 2 DISCOVERY, INC. 2006-10-05 US disclosed
EP-0281242-B1 BETA-ALKYLMELATONINS ELI LILLY AND COMPANY (US) 1992-08-12 EP disclosed
US-4997845-A β-alkylmelatonins as ovulation inhibitors ELI LILLY AND COMPANY (US) 1991-03-05 US disclosed
EP-0281242-A1 Beta-alkylmelatonins ELI LILLY AND COMPANY (US) 1988-09-07 EP 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 (6 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-20240156775-A1 TREATMENT OF CIRCADIAN RHYTHM DISORDERS CRY1, PER2, CRY2 MTNR1A 4/4885MTNR1B 5/4885CYP1A2 256/4885
US-20230210810-A1 TREATMENT OF CIRCADIAN RHYTHM DISORDERS CRY1, PER2, CRY2 MTNR1A 4/4885MTNR1B 5/4885CYP1A2 256/4885
US-20060223877-A1 Methods of treatment utilizing certain melatonin derivatives MTNR1A, MTNR1B, HTR6 MTNR1A 1/4885MTNR1B 2/4885CYP1A2 1226/4885
US-11845990-B2 Prediction of sleep parameter and response to sleep-inducing compound based on PER3 VNTR genotype PER2, CRY1, NR1I3 MTNR1A 13/4885MTNR1B 37/4885CYP1A2 171/4885
US-11918557-B2 Treatment of circadian rhythm disorders CRY1, PER2, CRY2 MTNR1A 4/4885MTNR1B 5/4885CYP1A2 256/4885

“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.