SCHEMBL399028

SCHEMBL399028

Cc1[nH]c2ccc(O)cc2c1CCN

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 1.00
HTR7 P34969 5/20 1.00
HTR1D P28221 4/20 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
HTR3A P46098 2/20 1.00
MAPK1 P28482 1/20 1.00
CYP2C19 P33261 1/20 1.00
HSD17B10 Q99714 1/20 1.00
TDP1 Q9NUW8 1/20 1.00
NPSR1 Q6W5P4 2/20 0.80
RAD52 P43351 1/20 0.80
BLM P54132 1/20 0.80
TRPM8 Q7Z2W7 1/20 0.58
SPR P35270 1/20 0.55
HTR2B P41595 3/20 0.50
HTR1A P08908 3/20 0.50
HTR2C P28335 3/20 0.50

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
SCHEMBL29361176 1.00 HTR6 (1.00) HTR6HTR7HTR1DCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL5791576 0.98 HTR6 (0.97) HTR6HTR7HTR1DCYP1A2CYP3A4
Fumaric Acid SCHEMBL1320838 0.89 NPSR1 (1.00) HTR6HTR7HTR1DCYP1A2CYP3A4
Maleic Acid SCHEMBL1320833 0.89 NPSR1 (1.00) HTR6HTR7HTR1DCYP1A2CYP3A4
Serotonin SCHEMBL27310578 0.88 HTR1D (0.78) HTR6HTR7HTR1DCYP1A2CYP3A4
SCHEMBL21374161 0.85 HTR7 (0.74) HTR6HTR7HTR1DCYP1A2CYP3A4
SCHEMBL7886752 0.83 HTR1D (0.71) HTR6HTR7HTR1DCYP1A2CYP3A4
SCHEMBL12352616 0.81 HTR7 (0.68) HTR6HTR7HTR1DCYP1A2CYP3A4
SCHEMBL26989650 0.81 HTR6 (0.68) HTR6HTR7HTR1DCYP1A2CYP3A4
SCHEMBL28750432 0.81 HTR6 (0.68) HTR6HTR7HTR1DCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4358962-B1 TREATMENT FOR AUTOIMMUNE DISEASES COMPRISING NALTREXONE OR A METABOLITE OR ANALOG THEREOF, A CANNABINOID AND A 5-HT RECEPTOR AGONIST LDN PHARMA LTD (GB) 2026-02-04 EP claimed
US-20250281481-A1 NALTREXONE FOR BOOSTING THE THERAPEUTIC UTILTY OF 5-HT RECEPTOR AGONISTS LDN Pharma Limited (GB) 2025-09-11 US claimed
US-20240342312-A1 A SHORTENED P63-PROTEIN DOMAIN TO ENHANCE HUMAN CARDIAC REPROGRAMMING BAYLOR COLLEGE OF MEDICINE (US) 2024-10-17 US claimed
US-20240293395-A1 NALTREXONE FOR IMPROVING THE EFFECTIVENESS OF 5-HT RECEPTOR SUBTYPE 2A, 2B or 2C AGONISTS LDN Pharma Limited (GB) 2024-09-05 US claimed
US-20240285612-A1 COMPOSITIONS COMPRISING AN AGONIST OF 5-HYDROXYTRYPTAMINE (5-HT) RECEPTOR SUBTYPE 3 LDN Pharma Limited (GB) 2024-08-29 US claimed
US-20240285613-A1 TREATMENT FOR AUTOIMMUNE DISEASES LDN Pharma Limited (GB) 2024-08-29 US claimed
EP-3259346-B1 P63 INACTIVATION FOR THE TREATMENT OF HEART FAILURE BAYLOR COLLEGE MEDICINE (US) 2024-08-07 EP claimed
US-20240252535-A1 CELLULAR COMPOSITION FOR TREATMENT OF DISEASES, DISORDERS OR CONDITIONS AND METHOD OF USE YZTHERAPEUTIC PERFORMANCE LTD. (IL) 2024-08-01 US claimed
US-20240228941-A1 ELECTROPORATION, DEVELOPMENTALLY-ACTIVATED CELLS, PLURIPOTENT-LIKE CELLS, CELL REPROGRAMMING AND REGENERATIVE MEDICINE REID CHRISTOPHER B (US) 2024-07-11 US claimed
EP-4380959-A1 A SHORTENED P63-PROTEIN DOMAIN TO ENHANCE HUMAN CARDIAC REPROGRAMMING Baylor College of Medicine (US) 2024-06-12 EP claimed
US-20020161016-A1 As-needed administration of tricyclic and other non-SRI antidepressant drugs to treat premature ejaculation VIVUS LLC (F/K/A VIVUS, INC.) 2002-10-31 US claimed
WO-2002041883-A2 AS-NEEDED ADMINISTRATION OF TRICYCLIC AND OTHER NON-SRI ANTIDEPRESSANT DRUGS TO TREAT PREMATURE EJACULATION VIVUS, INC. (US) 2002-05-30 WO claimed
WO-2002038142-A2 SEROTONERGIC COMPOSITIONS AND METHODS FOR TREATMENT OF MILD COGNITIVE IMPAIRMENT MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2002-05-16 WO claimed
US-20010008896-A1 Administration of active agents, including 5-HT receptor agonists and antagonists, to treat premature ejaculation SMITH WILLIAM L (US) 2001-07-19 US claimed
EP-1083918-A1 NOVEL THERAPEUTIC AGENTS THAT MODULATE 5-HT RECEPTORS Advanced Medicine, Inc. (US) 2001-03-21 EP claimed
EP-1082118-A2 METHODS FOR THE NORMALIZATION OF SEXUAL RESPONSE AND AMELIORATION OF LONG TERM GENITAL TISSUE DEGRADATION QUEEN'S UNIVERSITY AT KINGSTON (CA) 2001-03-14 EP claimed
WO-1999064044-A1 NOVEL THERAPEUTIC AGENTS THAT MODULATE 5-HT RECEPTORS ADVANCED MEDICINE, INC. (US) 1999-12-16 WO claimed
WO-1999062502-A2 METHODS FOR THE NORMALIZATION OF SEXUAL RESPONSE AND AMELIORATION OF LONG TERM GENITAL TISSUE DEGRADATION QUEEN'S UNIVERSITY AT KINGSTON (CA) 1999-12-09 WO claimed
US-5922341-A Local administration of pharmacologically active agents to treat premature ejaculation VIVUS, INCORPORATED (US) 1999-07-13 US claimed
US-5521183-A Use of 5-HT ligands as anti-pruritic agents ALLERGAN (US) 1996-05-28 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-20020161016-A1 As-needed administration of tricyclic and other non-SRI antidepressant drugs to treat premature ejaculation HTR5A, HTR1A, MAOA HTR6 10/4885HTR7 16/4885HTR1D 12/4885
US-20240293395-A1 NALTREXONE FOR IMPROVING THE EFFECTIVENESS OF 5-HT RECEPTOR SUBTYPE 2A, 2B or 2C AGONISTS HTR2C, HTR2B, HTR2A HTR6 16/4885HTR7 17/4885HTR1D 12/4885
US-20250281481-A1 NALTREXONE FOR BOOSTING THE THERAPEUTIC UTILTY OF 5-HT RECEPTOR AGONISTS VDR, OPRD1, HTR1A HTR6 33/4885HTR7 18/4885HTR1D 6/4885
US-20240285612-A1 COMPOSITIONS COMPRISING AN AGONIST OF 5-HYDROXYTRYPTAMINE (5-HT) RECEPTOR SUBTYPE 3 HTR3A, HTR3C, HTR1A HTR6 11/4885HTR7 19/4885HTR1D 18/4885

“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.