Sugi Predict

Sugi Predict / Compounds / SCHEMBL734052

SCHEMBL734052

SCHEMBL734052

c1ccc2c(CCN3CCOCC3)c[nH]c2c1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.76
▸ HTR1A P08908 3/20 0.67
▸ TACR2 P21452 2/20 0.61
▸ HRH3 Q9Y5N1 2/20 0.61
▸ DRD2 P14416 2/20 0.59
▸ CYP2D6 P10635 2/20 0.59
▸ DRD1 P21728 1/20 0.57
▸ DRD4 P21917 1/20 0.57
▸ DRD5 P21918 1/20 0.57
▸ DRD3 P35462 1/20 0.57
▸ BCHE P06276 1/20 0.56
▸ HTR6 P50406 1/20 0.56

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
SCHEMBL29992486 1.00 HTR2A (0.76) HTR2AHTR1ATACR2HRH3DRD2
SCHEMBL6465788 0.89 HTR2A (0.88) HTR2AHTR1ADRD2CYP2D6DRD1
SCHEMBL25295661 0.86 HTR2A (1.00) HTR2AHTR1ADRD2CYP2D6DRD1
SCHEMBL29543272 0.86 HTR2A (0.94) HTR2AHTR1ADRD2CYP2D6DRD1
SCHEMBL733629 0.86 HTR2A (0.94) HTR2AHTR1ADRD2CYP2D6DRD1
SCHEMBL30777147 0.86 HRH3 (0.59) HTR2AHTR1ATACR2HRH3DRD2
SCHEMBL1856027 0.85 BCHE (0.79) HRH3DRD2CYP2D6DRD4DRD3
SCHEMBL734226 0.85 HTR2A (0.91) HTR2AHTR1AHRH3DRD2CYP2D6
SCHEMBL32669458 0.85 HTR2A (0.91) HTR2AHTR1AHRH3DRD2CYP2D6
SCHEMBL20244861 0.84 HTR2A (0.78) HTR2AHTR1ADRD2CYP2D6DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102143946-A Calcium channel modulators and uses thereof LECTUS THERAPEUTICS LTD 2011-08-03 — — CN claimed
CN-117597329-A Method for the catalytic synthesis of tryptamine and precursors thereof 凯尔化学科技公司 2024-02-23 — — CN disclosed
US-20230357146-A1 PRODRUGS AND CONJUGATES OF DIMETHYLTRYPTAMINE ATAI THERAPEUTICS, INC. 2023-11-09 — — US disclosed
US-20230357146-A1 PRODRUGS AND CONJUGATES OF DIMETHYLTRYPTAMINE ATAI THERAPEUTICS, INC. 2023-11-09 — — US disclosed
US-11643391-B2 Prodrugs and conjugates of dimethyltryptamine ATAI THERAPEUTICS, INC. 2023-05-09 — — US disclosed
US-11643391-B2 Prodrugs and conjugates of dimethyltryptamine ATAI THERAPEUTICS, INC. 2023-05-09 — — US disclosed
US-20230041584-A1 NOVEL PRODRUGS AND CONJUGATES OF DIMETHYLTRYPTAMINE ATAI THERAPEUTICS, INC. 2023-02-09 — — US disclosed
WO-2022261383-A1 NOVEL PRODRUGS AND CONJUGATES OF DIMETHYLTRYPTAMINE ATAI Life Sciences AG (DE) 2022-12-15 — — WO disclosed
WO-2022232931-A1 CATALYTIC TRYPTAMINE PROCESSES AND PRECURSORS KARE CHEMICAL TECHNOLOGIES INC. (CA) 2022-11-10 — — WO disclosed
US-20140349989-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF ALZHEIMER'S INSTITUTE OF AMERICA (US) 2014-11-27 — — US disclosed
EP-2044016-B1 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1-AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM GRUENENTHAL GMBH (DE) 2012-12-05 — — EP disclosed
US-8138187-B2 Substituted heteroaryl derivatives GRUENENTHAL GMBH (DE) 2012-03-20 — — US disclosed
CN-102143946-A Calcium channel modulators and uses thereof LECTUS THERAPEUTICS LTD 2011-08-03 — — CN disclosed
US-20100009986-A1 SUBSTITUTED HETEROARYL DERIVATIVES GRUNENTHAL GMBH (DE) 2010-01-14 — — US disclosed
CN-101516844-A 4-heteroaryl substituted 1-aminocyclohexane-1-and cyclohexene-1-derivatives having activity on opioid receptor systems GRUENENTHAL GMBH (DE) 2009-08-26 — — CN disclosed
EP-2044016-A2 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1-AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM Grünenthal GmbH (DE) 2009-04-08 — — EP disclosed
WO-2008009415-A2 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1- AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM Grünenthal GmbH (DE) 2008-01-24 — — WO disclosed
CN-1150166-C CB2 receptor agonist compounds ��ŵ�Ѻϳ�ʵ���� 2004-05-19 — — CN disclosed
US-6013648-A IMMUNOMODULATORS SANOFI (FR) 2000-01-11 — — US disclosed
CN-1192732-A CB2 receptor agonist compounds SANOFI SA (FR) 1998-09-09 — — CN 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 (5 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-20230041584-A1 NOVEL PRODRUGS AND CONJUGATES OF DIMETHYLTRYPTAMINE NPY1R, NPY5R, HTR1A HTR2A 13/4885HTR1A 3/4885TACR2 145/4885
US-20230357146-A1 PRODRUGS AND CONJUGATES OF DIMETHYLTRYPTAMINE NPY1R, NPY5R, NPY2R HTR2A 12/4885HTR1A 5/4885TACR2 147/4885
US-11643391-B2 Prodrugs and conjugates of dimethyltryptamine NPY1R, NPY5R, NPY2R HTR2A 12/4885HTR1A 5/4885TACR2 147/4885
US-20140349989-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF NFATC1, CD4, CD47 HTR2A 3954/4885HTR1A 4164/4885TACR2 1601/4885
US-20100009986-A1 SUBSTITUTED HETEROARYL DERIVATIVES CYP3A43, HMGCR, ABCG2 HTR2A 238/4885HTR1A 746/4885TACR2 2109/4885

“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.