Sugi Predict

Sugi Predict / Compounds / SCHEMBL96287

SCHEMBL96287

SCHEMBL96287

O=C1CCc2c(cccc2OS(=O)(=O)C(F)(F)F)N1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 1/20 0.45
▸ ADRB1 P08588 1/20 0.45
▸ HTR1A P08908 1/20 0.45
▸ OPRK1 P41145 1/20 0.45
▸ DRD2 P14416 8/20 0.41
▸ DRD3 P35462 8/20 0.41
▸ HTR1D P28221 2/20 0.41
▸ DRD4 P21917 6/20 0.41
▸ HTR5A P47898 1/20 0.41
▸ DRD1 P21728 4/20 0.39
▸ DRD5 P21918 4/20 0.39
▸ KIF11 P52732 3/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ MAPK13 O15264 1/20 0.38
▸ MAPK12 P53778 1/20 0.38
▸ MAPK11 Q15759 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38

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
SCHEMBL29732306 1.00 ADRB2 (0.45) ADRB2ADRB1HTR1AOPRK1DRD2
SCHEMBL11169736 0.81 ADRB1 (0.47) ADRB2ADRB1HTR1AOPRK1NPC1
SCHEMBL97286 0.78 DRD2 (0.41) DRD2DRD3HTR1DDRD4HTR5A
SCHEMBL10298266 0.77 RAF1 (0.41) MAPK14
SCHEMBL99639 0.77 DRD2 (0.34) DRD2DRD3HTR1DDRD4HTR5A
SCHEMBL30042062 0.76 DRD2 (0.55) DRD2DRD3HTR1DDRD4HTR5A
SCHEMBL97517 0.76 DRD2 (0.35) DRD2DRD3HTR1DDRD4HTR5A
SCHEMBL430574 0.76 KIF11 (0.38) HTR1AHTR1DKIF11
SCHEMBL1239227 0.75 DRD2 (0.44) DRD2DRD3HTR1DDRD4HTR5A
SCHEMBL20819032 0.75 DRD2 (0.51) DRD2DRD3HTR1DDRD4HTR5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220227773-A1 FUSED RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2022-07-21 — — US disclosed
CN-112010859-B Fused ring compound, preparation method and application thereof 中国科学院上海药物研究所 2022-07-19 — — CN disclosed
EP-3978497-A1 FUSED RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2022-04-06 — — EP disclosed
WO-2020239073-A1 FUSED RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 中国科学院上海药物研究所 2020-12-03 — — WO disclosed
CN-112010859-A Fused ring compound, preparation method and application thereof 中国科学院上海药物研究所 2020-12-01 — — CN disclosed
EP-2766344-B1 EP1 RECEPTOR LIGANDS ESTEVE LABOR DR (ES) 2017-05-03 — — EP disclosed
US-9518015-B2 EP1 receptor ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2016-12-13 — — US disclosed
US-20140323475-A1 EP1 RECEPTOR LIGANDS ESTEVE PHARMACEUTICALS, S.A. (ES) 2014-10-30 — — US disclosed
EP-2766344-A1 EP1 RECEPTOR LIGANDS Laboratorios Del. Dr. Esteve, S.A. (ES) 2014-08-20 — — EP disclosed
WO-2013037960-A1 EP1 RECEPTOR LIGANDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2013-03-21 — — WO disclosed
US-20120022056-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS BENTLEY JONATHAN (IT) 2012-01-26 — — US disclosed
US-20120022056-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS BENTLEY JONATHAN (IT) 2012-01-26 — — US disclosed
US-20120022056-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS BENTLEY JONATHAN (IT) 2012-01-26 — — US disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 — — US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 — — US disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 — — US disclosed
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 — — EP disclosed
EP-1786822-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS GLAXO GROUP LIMITED (GB) 2007-05-23 — — EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 — — WO disclosed
WO-2006024517-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS GLAXO GROUP LIMITED (GB) 2006-03-09 — — 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 (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-20120022056-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS GABBR1, GABRQ, GABRE ADRB2 252/4885ADRB1 146/4885HTR1A 7/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 ADRB2 1065/4885ADRB1 996/4885HTR1A 3267/4885
US-20140323475-A1 EP1 RECEPTOR LIGANDS PTGER1, PTGER2, PTGIR ADRB2 75/4885ADRB1 52/4885HTR1A 205/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 ADRB2 1065/4885ADRB1 996/4885HTR1A 3267/4885
US-20220227773-A1 FUSED RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF SLC18A2, SLC6A3, SLC18A3 ADRB2 134/4885ADRB1 119/4885HTR1A 29/4885

“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.