SCHEMBL4055413

SCHEMBL4055413

Cc1ccc2[nH]cc(CCN(C)C)c2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.70
HTR2A P28223 6/20 0.70
HTR2C P28335 5/20 0.70
SLC6A4 P31645 5/20 0.70
MPO P05164 1/20 0.70
HTR1D P28221 12/20 0.68
HTR1B P28222 9/20 0.68
HTR2B P41595 4/20 0.67
HTR7 P34969 4/20 0.67
HTR5A P47898 4/20 0.67
HTR6 P50406 4/20 0.67
HTR1E P28566 3/20 0.67
HTR3E A5X5Y0 2/20 0.67
HTR3B O95264 2/20 0.67
HTR1F P30939 2/20 0.67
HTR3A P46098 2/20 0.67
HTR4 Q13639 2/20 0.67
HTR3D Q70Z44 2/20 0.67
HTR3C Q8WXA8 2/20 0.67
CYP1A2 P05177 1/20 0.67

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
SCHEMBL29633081 1.00 HTR1A (0.70) HTR1AHTR2AHTR2CSLC6A4MPO
SCHEMBL6943874 0.89 HTR1A (0.58) HTR1AHTR2AHTR2CSLC6A4MPO
SCHEMBL7324823 0.88 HTR1D (0.68) HTR1AHTR2AHTR2CSLC6A4MPO
SCHEMBL15701982 0.87 HTR2A (0.70) HTR1AHTR2AHTR2CSLC6A4MPO
SCHEMBL9169192 0.87 HTR7 (0.67) HTR1AHTR2AHTR2CSLC6A4MPO
SCHEMBL6942952 0.87 HTR1A (0.56) HTR1AHTR2AHTR2CSLC6A4MPO
SCHEMBL24243715 0.86 HTR2A (0.72) HTR1AHTR2AHTR2CSLC6A4MPO
SCHEMBL30916158 0.85 HTR1D (0.60) HTR1AHTR2AHTR2CSLC6A4MPO
SCHEMBL8869593 0.84 HTR1D (0.71) HTR1AHTR2AHTR2CSLC6A4MPO
SCHEMBL8785993 0.84 HTR1D (0.55) HTR1AHTR2AHTR2CSLC6A4MPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730124-A4 CERTAIN TRIAZOLE-BASED COMPOUNDS, COMPOSITIONS, AND USES THEREOF AMPHORA DISCOVERY CORP (US) 2009-04-01 EP claimed
EP-1730124-A1 CERTAIN TRIAZOLE-BASED COMPOUNDS, COMPOSITIONS, AND USES THEREOF Amphora Discovery Corporation (US) 2006-12-13 EP claimed
US-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof AGRIUS GROUP, LLC. 2005-12-29 US claimed
WO-2005097758-A1 CERTAIN TRIAZOLE-BASED COMPOUNDS, COMPOSITIONS, AND USES THEREOF AMPHORA DISCOVERY CORPORATION (US) 2005-10-20 WO claimed
US-20260090957-A1 Process for making aqueous therapeutic particle having stable exterior water clustering with nanosized thickness DRESDNER JR KARL P (US) 2026-04-02 US disclosed
US-20250339403-A1 Tryptamine Formulations and Uses Thereof Natural MedTech Pty Ltd (AU) 2025-11-06 US disclosed
EP-4615444-A1 TRYPTAMINE FORMULATIONS AND USES THEREOF Natural Medtech Pty Ltd (AU) 2025-09-17 EP disclosed
US-12303564-B2 Composite chitosan-tannin-active agent compositions and methods of making and using same WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2025-05-20 US disclosed
US-12295916-B2 Process for making aqueous therapeutic particle having stable exterior water clustering with nanosized thickness DRESDNER JR KARL P (US) 2025-05-13 US disclosed
US-20240228440-A1 ORGANIC COMPOUND SALTS GH Research Ireland Limited (IE) 2024-07-11 US disclosed
WO-2024098098-A1 TRYPTAMINE FORMULATIONS AND USES THEREOF Natural MedTech Pty Ltd (AU) 2024-05-16 WO disclosed
WO-2024074850-A1 A TREATMENT FOR MENTAL DISORDERS ReWire Therapeutics Limited (GB) 2024-04-11 WO disclosed
US-20130129812-A1 NOVEL COMPOSITIONS AND METHODS FOR TREATING CANCER BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-05-23 US disclosed
US-20100217013-A1 ENANTIOSELECTIVE PROCESS FOR THE PREPARATION OF ZOLMITRIPTAN CHIRAL QUEST, INC. 2010-08-26 US disclosed
EP-1751104-B1 SYNTHESIS METHODS AND INTERMEDIATES FOR THE MANUFACTURE OF RIZATRIPTAN RATIOPHARM GMBH (DE) 2010-03-24 EP disclosed
WO-2010010000-A2 SCREENING METHOD, DIAGNOSTIC METHOD AND SMALL NUCLEIC ACID FOR THE TREATMENT OF CNS DISORDERS KAROLINSKA INNOVATIONS AB (SE) 2010-01-28 WO disclosed
EP-1730124-A4 CERTAIN TRIAZOLE-BASED COMPOUNDS, COMPOSITIONS, AND USES THEREOF AMPHORA DISCOVERY CORP (US) 2009-04-01 EP disclosed
EP-1730124-A1 CERTAIN TRIAZOLE-BASED COMPOUNDS, COMPOSITIONS, AND USES THEREOF Amphora Discovery Corporation (US) 2006-12-13 EP disclosed
US-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof AGRIUS GROUP, LLC. 2005-12-29 US disclosed
WO-2005097758-A1 CERTAIN TRIAZOLE-BASED COMPOUNDS, COMPOSITIONS, AND USES THEREOF AMPHORA DISCOVERY CORPORATION (US) 2005-10-20 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 (8 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-20130129812-A1 NOVEL COMPOSITIONS AND METHODS FOR TREATING CANCER HDGF, HCCS, CCNC HTR1A 152/4885HTR2A 94/4885HTR2C 380/4885
US-12295916-B2 Process for making aqueous therapeutic particle having stable exterior water clustering with nanosized thickness SLC38A7, QPCT, SLC18A3 HTR1A 1984/4885HTR2A 2029/4885HTR2C 1330/4885
US-20100217013-A1 ENANTIOSELECTIVE PROCESS FOR THE PREPARATION OF ZOLMITRIPTAN HTR5A, HTR3A, HTR2A HTR1A 4/4885HTR2A 3/4885HTR2C 16/4885
US-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof ABCG2, ATP5ME, DNTT HTR1A 3298/4885HTR2A 3380/4885HTR2C 2397/4885
US-12303564-B2 Composite chitosan-tannin-active agent compositions and methods of making and using same TTPA, CHIA, CHIT1 HTR1A 2312/4885HTR2A 2918/4885HTR2C 3495/4885
US-20260090957-A1 Process for making aqueous therapeutic particle having stable exterior water clustering with nanosized thickness QPCT, SLC38A7, QPCTL HTR1A 2572/4885HTR2A 2610/4885HTR2C 1076/4885
US-20240228440-A1 ORGANIC COMPOUND SALTS HTR5A, HTR2B, HTR4 HTR1A 17/4885HTR2A 11/4885HTR2C 4/4885
US-20250339403-A1 Tryptamine Formulations and Uses Thereof MAOA, MAOB, TPH1 HTR1A 15/4885HTR2A 17/4885HTR2C 33/4885

“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.