SCHEMBL3546728

SCHEMBL3546728

CN1CCC(c2c[nH]c3ccc(O)cc23)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 1.00
CYP3A4 P08684 1/20 1.00
CYP2D6 P10635 1/20 1.00
CYP2C9 P11712 1/20 1.00
THPO P40225 1/20 1.00
MAPT P10636 1/20 0.81
BLM P54132 1/20 0.81
NPSR1 Q6W5P4 1/20 0.81
HTR1D P28221 13/20 0.71
HTR1B P28222 13/20 0.71
HTR1A P08908 3/20 0.64
HTR1F P30939 2/20 0.64
APP P05067 1/20 0.63
NOS1 P29475 1/20 0.57

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
SCHEMBL30908918 1.00 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6CYP2C9THPO
Maleic Acid SCHEMBL4799792 0.90 MAPT (1.00) CYP1A2CYP3A4CYP2D6CYP2C9THPO
Maleic Acid SCHEMBL29388300 0.90 MAPT (1.00) CYP1A2CYP3A4CYP2D6CYP2C9THPO
Fumaric Acid SCHEMBL4799802 0.90 MAPT (1.00) CYP1A2CYP3A4CYP2D6CYP2C9THPO
SCHEMBL23010847 0.84 HTR1D (0.72) CYP1A2CYP3A4CYP2D6CYP2C9THPO
SCHEMBL5705057 0.84 CYP1A2 (0.72) CYP1A2CYP3A4CYP2D6CYP2C9THPO
SCHEMBL8103916 0.83 CYP1A2 (0.71) CYP1A2CYP3A4CYP2D6CYP2C9THPO
SCHEMBL4541253 0.83 HTR1D (0.71) CYP1A2CYP3A4CYP2D6CYP2C9THPO
SCHEMBL4674422 0.83 HTR1D (0.71) CYP1A2CYP3A4CYP2D6CYP2C9THPO
SCHEMBL4673580 0.83 HTR1B (0.71) CYP1A2CYP3A4CYP2D6CYP2C9THPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180028499-A1 5HT AGONISTS FOR TREATING DISORDERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2018-02-01 US claimed
EP-3261640-A1 5HT AGONISTS FOR TREATING DISORDERS The Regents of The University of California (US) 2018-01-03 EP claimed
WO-2016138138-A1 5HT AGONISTS FOR TREATING DISORDERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-09-01 WO claimed
CN-105636438-A Pharmaceutical composition comprising an AMPK activator and a serotonin active agent and uses thereof CHEN JIANHONG 2016-06-01 CN claimed
EP-2983473-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS Mountain Llc (US) 2016-02-17 EP claimed
US-20140350064-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS MOUNTAIN LLC 2014-11-27 US claimed
WO-2014144130-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS MOUNTAIN LLC (US) 2014-09-18 WO claimed
US-20120183600-A1 NOVEL COMPOSITION FOR TREATING METABOLIC SYNDROME AND OTHER CONDITIONS CHEN CHIEN-HUNG (US) 2012-07-19 US claimed
US-20050080084-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a serotonin-modulating agent for the treatment of central nervous system damage PHARMACIA CORPORATION 2005-04-14 US claimed
US-20020173511-A1 Serotonergic compositions and methods for treatment of mild cognitive impairment WURTMAN RICHARD J (US) 2002-11-21 US 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-20260125645-A1 METHODS AND PHARMACOLOGICAL AGENTS FOR INCREASING EXPANSION, ENGRAFTMENT OR IMMUNE OUTPUT OF HUMAN HEMATOPOIETIC STEM CELLS IN TRANSPLANTATION AND DISEASE SETTINGS VALORISATION HSJ LP (CA) 2026-05-07 US disclosed
US-20260083706-A1 5HT AGONISTS FOR TREATING DISORDERS UNIV CALIFORNIA (US) 2026-03-26 US disclosed
EP-4696377-A2 5HT AGONISTS FOR TREATING DISORDERS The Regents of the University of California (US) 2026-02-18 EP disclosed
EP-4043016-B1 THE 5HT AGONIST CLEMIZOLE FOR USE IN TREATING EPILEPSY DISORDERS UNIV CALIFORNIA (US) 2025-10-29 EP disclosed
WO-2000000487-A1 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 2000-01-06 WO disclosed
US-5852049-A Aromatic ethers derived from indoles which are useful as medicaments PIERRE FABRE MEDICAMENT (FR) 1998-12-22 US disclosed
EP-0782568-A1 AROMATIC ETHERS DERIVED FROM INDOLS SUCH AS 5HT1-LIKE LIGANDS PIERRE FABRE MEDICAMENT (FR) 1997-07-09 EP disclosed
WO-1996026936-A1 NOVEL CYCLIC AMINO-INDOLE PIPERAZINE DERIVATIVES, PREPARATION PROCESS AND UTILIZATION AS MEDICAMENTS PIERRE FABRE MEDICAMENT (FR) 1996-09-06 WO disclosed
WO-1996009288-A1 AROMATIC ETHERS DERIVED FROM INDOLS SUCH AS 5HT1-LIKE LIGANDS PIERRE FABRE MEDICAMENT (FR) 1996-03-28 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 (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-20260083706-A1 5HT AGONISTS FOR TREATING DISORDERS SLC6A4, SLC6A2, TPH2 CYP1A2 427/4885CYP3A4 977/4885CYP2D6 415/4885
US-20050080084-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a serotonin-modulating agent for the treatment of central nervous system damage TPH2, TPH1, HTR2A CYP1A2 591/4885CYP3A4 2575/4885CYP2D6 1432/4885
US-20260125645-A1 METHODS AND PHARMACOLOGICAL AGENTS FOR INCREASING EXPANSION, ENGRAFTMENT OR IMMUNE OUTPUT OF HUMAN HEMATOPOIETIC STEM CELLS IN TRANSPLANTATION AND DISEASE SETTINGS HTR1F, HTR1A, HTR1D CYP1A2 1214/4885CYP3A4 1654/4885CYP2D6 2692/4885
US-20180028499-A1 5HT AGONISTS FOR TREATING DISORDERS HTR1A, HTR5A, HTR2A CYP1A2 455/4885CYP3A4 695/4885CYP2D6 597/4885

“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.