Sugi Predict

Sugi Predict / Compounds / SCHEMBL1705710

SCHEMBL1705710

SCHEMBL1705710

COc1ccccc1CC1CCNCC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GNAI3 P08754 1/20 0.57
▸ HTR2C P28335 2/20 0.54
▸ SLC6A4 P31645 4/20 0.53
▸ SLC6A2 P23975 3/20 0.53
▸ GBA1 P04062 1/20 0.51
▸ CYP2D6 P10635 3/20 0.47
▸ USP2 O75604 1/20 0.47
▸ HTR1A P08908 4/20 0.46
▸ ADRA2A P08913 4/20 0.46
▸ ADRA2B P18089 4/20 0.46
▸ ADRA2C P18825 4/20 0.46
▸ KCNH2 Q12809 2/20 0.46
▸ HTR7 P34969 1/20 0.46
▸ SLC6A3 Q01959 1/20 0.46
▸ HRH1 P35367 1/20 0.44

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 SCHEMBL21632839 0.98 GNAI3 (0.56) GNAI3HTR2CSLC6A4SLC6A2GBA1
SCHEMBL23886286 0.88 CYP2D6 (0.53) SLC6A4CYP2D6HTR1AADRA2AADRA2B
SCHEMBL13701328 0.86 GNAI3 (0.47) GNAI3HTR2CSLC6A4SLC6A2GBA1
SCHEMBL7446651 0.84 CYP2D6 (0.50) SLC6A4CYP2D6HTR1A
SCHEMBL16056162 0.84 GNAI3 (0.55) GNAI3HTR2CSLC6A4SLC6A2KCNH2
SCHEMBL2165486 0.83 CYP2D6 (0.47) GNAI3SLC6A4CYP2D6HTR1AADRA2A
Oxalic Acid SCHEMBL5245645 0.83 MEN1 (0.47) GNAI3SLC6A4SLC6A2
SCHEMBL11363042 0.83 SLC6A4 (0.50) GNAI3HTR2CSLC6A4SLC6A2GBA1
SCHEMBL1155825 0.82 SLC6A2 (0.44) GNAI3HTR2CSLC6A4SLC6A2HTR1A
SCHEMBL3160580 0.81 EED (0.56) GNAI3SLC6A4SLC6A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 — — EP claimed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 — — US claimed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 — — EP claimed
US-20230062100-A1 SUBSTITUTED AMINOQUINOLONES AS DGKALPHA INHIBITORS FOR IMMUNE ACTIVATION BAYER AKTIENGESELLSCHAFT (DE) 2023-03-02 — — US disclosed
CN-115210225-A Substituted aminoquinolones as immuno-activated DGKALPHA inhibitors 拜耳公司 2022-10-18 — — CN disclosed
EP-4065570-A1 SUBSTITUTED AMINOQUINOLONES AS DGKALPHA INHIBITORS FOR IMMUNE ACTIVATION Bayer Aktiengesellschaft (DE) 2022-10-05 — — EP disclosed
US-20220202963-A1 RADIOLABELED COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2022-06-30 — — US disclosed
WO-2021105115-A1 SUBSTITUTED AMINOQUINOLONES AS DGKALPHA INHIBITORS FOR IMMUNE ACTIVATION BAYER AKTIENGESELLSCHAFT (DE) 2021-06-03 — — WO disclosed
WO-2021048241-A1 RADIOLABELED COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2021-03-18 — — WO disclosed
CN-108025002-A Six-membered azaheterocyclic containing opioid receptor modulating compounds, methods of use and preparation thereof 特维娜有限公司 2018-05-11 — — CN disclosed
US-20140275017-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2014-09-18 — — US disclosed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 — — US disclosed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 — — EP disclosed
EP-1966183-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE Merck Frosst Canada Ltd. (CA) 2008-09-10 — — EP disclosed
US-20070299092-A1 Quinone Substituted Quinazoline and Quinoline Kinase Inhibitors WYETH (US) 2007-12-27 — — US disclosed
WO-2007071023-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2007-06-28 — — WO disclosed
CN-1878777-A 2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2006-12-13 — — CN disclosed
WO-2005115145-A2 QUINONE SUBSTITUTED QUINAZOLINE AND QUINOLINE KINASE INHIBITORS WYETH (US) 2005-12-08 — — WO disclosed
WO-2003068807-A2 ECHINOCANDIN CYCLIC PEPTIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-08-21 — — WO disclosed
EP-0934932-A1 QUINOLINE DERIVATIVES AND PSYCHOTROPIC AGENT MEIJI SEIKA KABUSHIKI KAISHA (JP) 1999-08-11 — — EP 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-20090054401-A1 Substituted bicyclic derivatives and use thereof LTB4R2, LTC4S, LTB4R GNAI3 1830/4885HTR2C 716/4885SLC6A4 2513/4885
US-20140275017-A1 CGRP RECEPTOR ANTAGONISTS BDKRB1, CALCRL, BDKRB2 GNAI3 429/4885HTR2C 494/4885SLC6A4 1511/4885
US-20230062100-A1 SUBSTITUTED AMINOQUINOLONES AS DGKALPHA INHIBITORS FOR IMMUNE ACTIVATION DGKK, DGKG, DGKA GNAI3 58/4885HTR2C 4529/4885SLC6A4 4739/4885
US-20220202963-A1 RADIOLABELED COMPOUNDS MGLL, PNLIP, LPL GNAI3 931/4885HTR2C 3993/4885SLC6A4 2415/4885
US-20070299092-A1 Quinone Substituted Quinazoline and Quinoline Kinase Inhibitors KDR, FLT1, FLT4 GNAI3 831/4885HTR2C 2123/4885SLC6A4 2835/4885

“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.