SCHEMBL3472

SCHEMBL3472

NCCc1cn(NCCc2c[nH]c3ccc(O)cc23)c2ccc(O)cc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.64
HTR2C P28335 6/20 0.64
HTR1A P08908 3/20 0.64
CYP2D6 P10635 3/20 0.64
HTR2B P41595 2/20 0.64
CYP1A2 P05177 2/20 0.64
CYP3A4 P08684 2/20 0.64
HTR1D P28221 2/20 0.64
HTR3E A5X5Y0 1/20 0.64
HTR3B O95264 1/20 0.64
CYP2C9 P11712 1/20 0.64
TSHR P16473 1/20 0.64
DRD1 P21728 1/20 0.64
HTR1B P28222 1/20 0.64
HTR1E P28566 1/20 0.64
HTR1F P30939 1/20 0.64
HTR7 P34969 1/20 0.64
DRD3 P35462 1/20 0.64
RECQL P46063 1/20 0.64
HTR3A P46098 1/20 0.64

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
Hydrochloric Acid SCHEMBL798115 0.99 HTR2C (0.65) HTR2AHTR2CHTR1ACYP2D6HTR2B
Serotonin SCHEMBL1495 0.80 HTR2C (1.00) HTR2AHTR2CHTR1ACYP2D6HTR2B
Serotonin SCHEMBL183226 0.80 HTR2C (1.00) HTR2AHTR2CHTR1ACYP2D6HTR2B
Serotonin SCHEMBL30057954 0.80 HTR2C (1.00) HTR2AHTR2CHTR1ACYP2D6HTR2B
Serotonin SCHEMBL29349412 0.80 HTR2C (1.00) HTR2AHTR2CHTR1ACYP2D6HTR2B
SCHEMBL8714246 0.79 HTR2A (0.61) HTR2AHTR2CHTR1ACYP2D6CYP1A2
SCHEMBL28582265 0.79 MTNR1A (0.68) HTR1ACYP2D6HTR2BCYP1A2CYP3A4
Serotonin SCHEMBL25341783 0.79 HTR2C (1.00) HTR2AHTR2CHTR1ACYP2D6HTR2B
Serotonin SCHEMBL396997 0.79 HTR2C (0.97) HTR2AHTR2CHTR1ACYP2D6HTR2B
Serotonin SCHEMBL8208967 0.79 HTR2C (1.00) HTR2AHTR2CHTR1ACYP2D6HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116133625-A Vascular compression devices and methods for delivering vascular compression therapy to patients undergoing chemotherapy therapy 广州芙力丝医疗科技开发有限公司 2023-05-16 CN claimed
EP-4171459-A1 VASOCOMPRESSION DEVICES AND METHODS OF DELIVERING VASOCOMPRESSION THERAPY TO A PATIENT UNDERGOING CHEMOTHERAPY TREATMENT Guangzhou Follisave Technology Development Ltd. (CN) 2023-05-03 EP claimed
WO-2021262957-A1 VASOCOMPRESSION DEVICES AND METHODS OF DELIVERING VASOCOMPRESSION THERAPY TO A PATIENT UNDERGOING CHEMOTHERAPY TREATMENT BELSON AMIR (US) 2021-12-30 WO claimed
US-20210315834-A1 TREATMENT OF ALOPECIA SOL-GEL TECHNOLOGIES LTD. (IL) 2021-10-14 US claimed
US-6060642-A TRANSGENIC MICE MODELS FOR GENE FUNCTION, WHEREIN THE TRANSGENIC MICE ARE CHARACTERIZED BY HAVING ALTERED SEROTONIN 5-HT6 RECEPTOR GENE FUNCTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-05-09 US claimed
US-20240197523-A1 MOTORIZED INJECTION SYSTEM AND METHODS OF USE MEIRAGTX UK II LIMITED (GB) 2024-06-20 US disclosed
US-20240158339-A1 TYRAMINE CONTAINING HYDROXYCINNAMIC ACID AMIDE DERIVATIVES AND METHODS OF USE THEREOF Sanford Burnham Prebys Medical Discovery Institute 2024-05-16 US disclosed
WO-2024098098-A1 TRYPTAMINE FORMULATIONS AND USES THEREOF Natural MedTech Pty Ltd (AU) 2024-05-16 WO disclosed
CN-117897206-A Curing ring seal 科利耳有限公司 2024-04-16 CN disclosed
US-20240100061-A1 Compositions of Iboga Alkaloids and Methods of Treatment THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2024-03-28 US disclosed
US-20240100062-A1 Methods of Treatment With an Iboga Alkaloid THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2024-03-28 US disclosed
WO-2024063349-A1 SUSTAINED-RELEASE MOSAPRIDE FORMULATION 한국유나이티드제약 주식회사 2024-03-28 WO disclosed
EP-0993301-A1 COCAINE RECEPTOR BINDING LIGANDS RESEARCH TRIANGLE INSTITUTE (US) 2000-04-19 EP disclosed
EP-0993301-A4 COCAINE RECEPTOR BINDING LIGANDS RES TRIANGLE INST (US) 2000-04-19 EP disclosed
US-5879682-A Aframonum seeds for improving penile activity ACCESS BUSINESS GROUP INTERNATIONAL LLC 1999-03-09 US disclosed
US-5798382-A TREATING SEROTONERGIC NEURON-RELATED DISEASES ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1998-08-25 US disclosed
US-5792791-A FOR PREVENTION AND TREATMENT OF SEROTONERGIC NEURON-RELATED DISEASES; HYPOTENSIVE AGENTS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1998-08-11 US disclosed
WO-1998007427-A1 COCAINE RECEPTOR BINDING LIGANDS RESEARCH TRIANGLE INSTITUTE (US) 1998-02-26 WO disclosed
US-4704394-A SEROTONIN ANTAGONISTS TECHNOLOGY UNLIMITED, INC. (US) 1987-11-03 US disclosed
US-4175084-A AND AN N-ACYL ASPARTIC ACID CARRIER, FOR PSYCHOLOGICAL DISORDERS, LEARNING ENHANCEMENT AND SLEEP INDUCTION SENTRALINSTITUTT FOR INDUSTRIELL FORSKNING (NO) 1979-11-20 US 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 (3 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-20240100061-A1 Compositions of Iboga Alkaloids and Methods of Treatment GAP43, PYGB, INA HTR2A 21/4885HTR2C 71/4885HTR1A 26/4885
US-20240158339-A1 TYRAMINE CONTAINING HYDROXYCINNAMIC ACID AMIDE DERIVATIVES AND METHODS OF USE THEREOF GLS2, LIPC, AADAT HTR2A 74/4885HTR2C 101/4885HTR1A 367/4885
US-20240100062-A1 Methods of Treatment With an Iboga Alkaloid INA, GAP43, PYGB HTR2A 9/4885HTR2C 66/4885HTR1A 13/4885

“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.