Sugi Predict

Sugi Predict / Compounds / SCHEMBL5962350

SCHEMBL5962350

SCHEMBL5962350

CC(C)Cc1cc2ccccc2s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 3/20 0.58
▸ ASIC3 Q9UHC3 1/20 0.58
▸ LOXL2 Q9Y4K0 1/20 0.58
▸ ADRB2 P07550 1/20 0.58
▸ AGXT P21549 1/20 0.53
▸ ADRA1D P25100 2/20 0.44
▸ ALOX5 P09917 3/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ PTGES O14684 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ LTA4H P09960 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ ALOX5AP P20292 1/20 0.43
▸ LOX P28300 1/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ LTB4R Q15722 1/20 0.43
▸ IDH1 O75874 1/20 0.42

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
SCHEMBL6637521 0.85 CYP2A6 (0.59) CYP2A6ASIC3LOXL2ADRB2AGXT
SCHEMBL30905568 0.85 CYP2A6 (0.59) CYP2A6ASIC3LOXL2ADRB2AGXT
SCHEMBL19760753 0.85 CYP2A6 (0.59) CYP2A6ASIC3LOXL2ADRB2AGXT
SCHEMBL5540703 0.85 CYP2A6 (0.55) CYP2A6ASIC3LOXL2ADRB2AGXT
SCHEMBL3459782 0.85 CYP2A6 (0.59) CYP2A6ASIC3LOXL2ADRB2AGXT
SCHEMBL20912808 0.85 CYP2A6 (0.59) CYP2A6ASIC3LOXL2ADRB2AGXT
SCHEMBL28394803 0.81 CYP2A6 (0.55) CYP2A6ASIC3LOXL2ADRB2AGXT
SCHEMBL9602507 0.81 AGXT (0.58) CYP2A6ASIC3LOXL2ADRB2AGXT
SCHEMBL9602503 0.81 CYP2A6 (0.54) CYP2A6ASIC3LOXL2ADRB2AGXT
Hydrochloric Acid SCHEMBL28235220 0.79 CYP2A6 (0.61) CYP2A6ASIC3LOXL2ADRB2AGXT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2024-06-25 — — US disclosed
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2024-06-25 — — US disclosed
US-20230322744-A1 COMPOUNDS AS GLP-1R AGONISTS TERNS PHARMACEUTICALS, INC. 2023-10-12 — — US disclosed
US-20230130470-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS ALCON INC. (CH) 2023-04-27 — — US disclosed
US-20230130470-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS ALCON INC. (CH) 2023-04-27 — — US disclosed
US-11312700-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2022-04-26 — — US disclosed
US-20210002253-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS ALCON INC. (CH) 2021-01-07 — — US disclosed
US-10858339-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2020-12-08 — — US disclosed
US-20170360740-A1 HISTONE DEACETYLASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. 2017-12-21 — — US disclosed
US-9783490-B2 Antimicrobial compounds, their synthesis and applications thereof THE SECRETARY OF STATE FOR HEALTH (GB) 2017-10-10 — — US disclosed
US-20100093842-A1 Laulimalide Analogs and Uses Thereof EISAI CO. LTD. 2010-04-15 — — US disclosed
US-20100056588-A1 HISTONE DEACETYLASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. 2010-03-04 — — US disclosed
US-20090312363-A1 BIFUNCTIONAL HISTONE DEACETYLASE INHIBITORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2009-12-17 — — US disclosed
US-20090209590-A1 Histone Deacetylase and Tubulin Deacetylase Inhibitors PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2009-08-20 — — US disclosed
US-20080269245-A1 Dioxanes and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2008-10-30 — — US disclosed
WO-2008130584-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2008-10-30 — — WO disclosed
US-20070287745-A1 Laulimalide Analogs and Uses Thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-12-13 — — US disclosed
US-20070203183-A1 Diaryl piperidines as CB1 modulators SCHERING CORPORATION 2007-08-30 — — US disclosed
US-7244853-B2 Dioxanes and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-07-17 — — US disclosed
US-20040072849-A1 Dioxanes and uses thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-04-15 — — 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 (15 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-20100093842-A1 Laulimalide Analogs and Uses Thereof LPXN, MLX, ZYX CYP2A6 3448/4885ASIC3 4122/4885LOXL2 279/4885
US-20070203183-A1 Diaryl piperidines as CB1 modulators CNR1, CNR2, GPR119 CYP2A6 929/4885ASIC3 1326/4885LOXL2 2999/4885
US-20210002253-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS UACA, HRAS, MYLK CYP2A6 3561/4885ASIC3 3860/4885LOXL2 1828/4885
US-20090312363-A1 BIFUNCTIONAL HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC2 CYP2A6 3200/4885ASIC3 2233/4885LOXL2 3004/4885
US-20230322744-A1 COMPOUNDS AS GLP-1R AGONISTS GLP1R, GIPR, GCGR CYP2A6 3583/4885ASIC3 588/4885LOXL2 2897/4885
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK CYP2A6 3561/4885ASIC3 3860/4885LOXL2 1828/4885
US-20090209590-A1 Histone Deacetylase and Tubulin Deacetylase Inhibitors HDAC6, HDAC1, HDAC5 CYP2A6 3353/4885ASIC3 3240/4885LOXL2 4646/4885
US-20170360740-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC7 CYP2A6 1660/4885ASIC3 4455/4885LOXL2 2601/4885
US-20040072849-A1 Dioxanes and uses thereof UTS2R, HDAC5, AMDHD2 CYP2A6 2620/4885ASIC3 3773/4885LOXL2 1246/4885
US-11312700-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK CYP2A6 3561/4885ASIC3 3860/4885LOXL2 1828/4885
US-20070287745-A1 Laulimalide Analogs and Uses Thereof LPXN, MLX, ZYX CYP2A6 3448/4885ASIC3 4122/4885LOXL2 279/4885
US-10858339-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK CYP2A6 3561/4885ASIC3 3860/4885LOXL2 1828/4885
US-20230130470-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS UACA, HRAS, MYLK CYP2A6 3561/4885ASIC3 3860/4885LOXL2 1828/4885
US-20100056588-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC7 CYP2A6 1660/4885ASIC3 4455/4885LOXL2 2601/4885
US-20080269245-A1 Dioxanes and uses thereof UTS2R, MAN2B2, AMDHD2 CYP2A6 2281/4885ASIC3 3709/4885LOXL2 989/4885

“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.