SCHEMBL4690449

SCHEMBL4690449

NCCc1c[nH]c2ccc3c(c12)CCCO3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 11/20 1.00
HTR2C P28335 11/20 1.00
HTR1D P28221 9/20 1.00
HTR2B P41595 7/20 1.00
HTR1A P08908 7/20 1.00
HTR6 P50406 4/20 0.67
HTR4 Q13639 3/20 0.67
HTR1B P28222 3/20 0.67
HTR7 P34969 3/20 0.67
ADRA2A P08913 1/20 0.67
ADRA2C P18825 1/20 0.67
PARP1 P09874 1/20 0.50
DRD2 P14416 1/20 0.39
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR1E P28566 1/20 0.38
HTR1F P30939 1/20 0.38
HTR3A P46098 1/20 0.38
HTR5A P47898 1/20 0.38
HTR3D Q70Z44 1/20 0.38

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
SCHEMBL7000777 0.84 HTR2A (0.73) HTR2AHTR2CHTR1DHTR2BHTR1A
SCHEMBL8177855 0.83 HTR2C (1.00) HTR2AHTR2CHTR1DHTR2BHTR1A
SCHEMBL31105674 0.81 HTR2A (0.68) HTR2AHTR2CHTR1DHTR2BHTR1A
SCHEMBL6092065 0.81 HTR2C (1.00) HTR2AHTR2CHTR1DHTR2BHTR1A
SCHEMBL30390274 0.81 HTR2C (1.00) HTR2AHTR2CHTR1DHTR2BHTR1A
SCHEMBL5936562 0.81 HTR2C (1.00) HTR2AHTR2CHTR1DHTR2BHTR1A
SCHEMBL6094978 0.81 HTR2C (1.00) HTR2AHTR2CHTR1DHTR2BHTR1A
SCHEMBL31105653 0.80 HTR2A (0.80) HTR2AHTR2CHTR1DHTR2BHTR1A
Hydrochloric Acid SCHEMBL6092175 0.80 HTR2C (0.98) HTR2AHTR2CHTR1DHTR2BHTR1A
Hydrochloric Acid SCHEMBL6093427 0.80 HTR2C (0.98) HTR2AHTR2CHTR1DHTR2BHTR1A

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240252535-A1 CELLULAR COMPOSITION FOR TREATMENT OF DISEASES, DISORDERS OR CONDITIONS AND METHOD OF USE YZTHERAPEUTIC PERFORMANCE LTD. (IL) 2024-08-01 US disclosed
EP-4208177-A1 CELLULAR COMPOSITION FOR TREATMENT OF DISEASES, DISORDERS OR CONDITIONS AND METHOD OF USE Yztherapeutic Performance Ltd. (IL) 2023-07-12 EP disclosed
WO-2008083204-A2 MODULATION OF NEUROGENESIS BY MELATONINERGIC LIGANDS BRAINCELLS, INC. (US) 2008-07-10 WO disclosed
US-20080167363-A1 Modulation of Neurogenesis By Melatoninergic Agents BRAINCELLS, INC (US) 2008-07-10 US disclosed
US-20080167363-A1 Modulation of Neurogenesis By Melatoninergic Agents BRAINCELLS, INC (US) 2008-07-10 US disclosed
EP-0885210-B2 Tricylic compounds having binding affinity for melatonin receptors, their production and use TAKEDA PHARMACEUTICAL (JP) 2008-06-18 EP disclosed
EP-1550655-A1 Bicyclic intermediates Takeda Pharmaceutical Company Limited (JP) 2005-07-06 EP disclosed
EP-0885210-B1 Tricylic compounds having binding affinity for melatonin receptors, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-06-12 EP disclosed
EP-1199304-A1 Bicyclic compounds and pharmaceutical composition containing tricyclic compound for treating or preventing sleep disorders Takeda Chemical Industries, Ltd. (JP) 2002-04-24 EP disclosed
EP-0708099-B1 Tricyclic amide compounds, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2001-11-28 EP disclosed
US-6218429-B1 TREATING MELATONIN RELATED DISORDERS (E.G. CIRCARDIAN RHYTHMS, SLEEP-AWAKE CYCLES, TIME ZONE CHANGES, SLEEP DISORDERS) TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-17 US disclosed
US-6071946-A FOR TREATING DISORDERS OF THE MELATONINERGIC SYSTEM, SLEEP DISORDERS, CIRCADIAN RHYTHM DISORDERS ADIR ET COMPAGNIE (FR) 2000-06-06 US disclosed
US-6034239-A BINDIG TO MELATONIN RECEPTORS; SLEEP DISORDERS; GLANDULAR DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-03-07 US disclosed
US-5998461-A SLEEP DISORDERS ADIR ET COMPAGNIE (FR) 1999-12-07 US disclosed
EP-0885210-A1 Tricylic compounds having binding affinity for melatonin receptors, their production and use Takeda Chemical Industries, Ltd. (JP) 1998-12-23 EP disclosed
WO-1997032871-A1 TRICYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-09-12 WO disclosed
EP-0708099-A1 Tricyclic amide compounds, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-04-24 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 (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-20080167363-A1 Modulation of Neurogenesis By Melatoninergic Agents MTNR1A, GAP43, DCX HTR2A 120/4885HTR2C 277/4885HTR1D 853/4885

“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.