Sugi Predict

Sugi Predict / Compounds / SCHEMBL734226

SCHEMBL734226

SCHEMBL734226

c1ccc2c(CCN3CCCCC3)c[nH]c2c1

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 4/20 0.91
▸ LMNA P02545 1/20 0.72
▸ HTT P42858 1/20 0.72
▸ KDM4E B2RXH2 1/20 0.72
▸ MAPK1 P28482 1/20 0.72
▸ RAB9A P51151 2/20 0.70
▸ JAK2 O60674 1/20 0.70
▸ HTR1A P08908 1/20 0.70
▸ MPO P05164 1/20 0.63
▸ HTR2C P28335 1/20 0.63
▸ HTR2B P41595 1/20 0.63
▸ SMN1; SMN2 Q16637 1/20 0.63
▸ HTR1D P28221 3/20 0.60
▸ HTR1B P28222 3/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ DRD2 P14416 1/20 0.60
▸ DRD1 P21728 1/20 0.60
▸ DRD4 P21917 1/20 0.60
▸ DRD5 P21918 1/20 0.60
▸ DRD3 P35462 1/20 0.60

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
SCHEMBL32669458 1.00 HTR2A (0.91) HTR2ALMNAHTTKDM4EMAPK1
SCHEMBL29543272 0.98 HTR2A (0.94) HTR2ALMNAHTTKDM4EMAPK1
SCHEMBL733629 0.98 HTR2A (0.94) HTR2ALMNAHTTKDM4EMAPK1
SCHEMBL25295661 0.95 HTR2A (1.00) HTR2ALMNAHTTKDM4EMAPK1
SCHEMBL6465788 0.92 HTR2A (0.88) HTR2ALMNAHTTRAB9AHTR1A
SCHEMBL2420293 0.91 HTR1A (0.86) HTR2ALMNAHTTKDM4EMAPK1
SCHEMBL2259204 0.89 HTR1A (0.88) HTR2ALMNAHTTKDM4EMAPK1
SCHEMBL5170230 0.88 HTR1A (0.81) HTR2ALMNAHTTKDM4EMAPK1
SCHEMBL20244861 0.86 HTR2A (0.78) HTR2AHTR1AMPODRD2DRD1
SCHEMBL735143 0.86 HTR2A (0.78) HTR2AHTR1AMPOHTR2CHTR2B

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2023183613-A2 INDOLIZINE COMPOUNDS FOR THE TREATMENT OF MENTAL DISORDERS OR INFLAMMATION TACTOGEN INC (US) 2023-09-28 — — WO 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
CN-101516844-B 4-heteroaryl substituted 1-aminocyclohexane-1-and cyclohexene-1-derivatives having activity on opioid receptor systems GRUENENTHAL GMBH 2013-12-11 — — CN 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
CN-101560179-B Azotic indole derivative with H3 receptor affinity and applications UNIV ZHEJIANG 2012-04-18 — — CN disclosed
US-8138187-B2 Substituted heteroaryl derivatives GRUENENTHAL GMBH (DE) 2012-03-20 — — US disclosed
US-20100009986-A1 SUBSTITUTED HETEROARYL DERIVATIVES GRUNENTHAL GMBH (DE) 2010-01-14 — — US disclosed
CN-101560179-A Azotic indole derivative with H3 receptor affinity and applications UNIV ZHEJIANG (CN) 2009-10-21 — — CN 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
US-5200410-A Serotonin agonist with specific binding strength TROPONWERKE GMBH & CO. (DE) 1993-04-06 — — US disclosed
US-5155128-A Medicaments for the treatment of cerebral apoplexy TROPONWERKE GMBH & CO. (DE) 1992-10-13 — — US disclosed
US-5070102-A SEROTONIN AGONISTS TROPONWERKE GMBH & CO. (DE) 1991-12-03 — — US disclosed
US-4988700-A Antiserotonin agent, aryl or heteroaryl piperazine compounds TROPONWERKE GMBH & CO. (DE) 1991-01-29 — — US disclosed
US-4816598-A 4-Amino-butanoic acid derivatives SANOFI (FR) 1989-03-28 — — 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 (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-20230041584-A1 NOVEL PRODRUGS AND CONJUGATES OF DIMETHYLTRYPTAMINE NPY1R, NPY5R, HTR1A HTR2A 13/4885LMNA 3390/4885HTT 1725/4885
US-20230357146-A1 PRODRUGS AND CONJUGATES OF DIMETHYLTRYPTAMINE NPY1R, NPY5R, NPY2R HTR2A 12/4885LMNA 3171/4885HTT 1551/4885
US-11643391-B2 Prodrugs and conjugates of dimethyltryptamine NPY1R, NPY5R, NPY2R HTR2A 12/4885LMNA 3171/4885HTT 1551/4885
US-20100009986-A1 SUBSTITUTED HETEROARYL DERIVATIVES CYP3A43, HMGCR, ABCG2 HTR2A 238/4885LMNA 1488/4885HTT 247/4885

“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.