SCHEMBL1491238

SCHEMBL1491238

C#CCO[C@H]1OCC[C@@H]1I

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37

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
SCHEMBL8343290 1.00 CHRM2 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1491239 1.00 CHRM2 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1273196 0.81 CHRM2 (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL14274222 0.77 CHRM2 (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6631971 0.77 CHRM2 (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL20141501 0.74 CHRM2 (0.32) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL20141503 0.74 CHRM2 (0.32) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL20141502 0.74 CHRM2 (0.32) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL254548 0.73 CHRM2 (0.32) CHRM2CHRM4CHRM5CHRM1CHRM3
Furan SCHEMBL7495514 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3860980-A1 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF F. Hoffmann-La Roche AG (CH) 2021-08-11 EP disclosed
CN-113166062-A 8-aminoisoquinoline compounds and uses thereof 豪夫迈·罗氏有限公司 2021-07-23 CN disclosed
US-20200108075-A1 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-04-09 US disclosed
WO-2020072695-A1 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-04-09 WO disclosed
US-9889115-B2 Fitness assay and associated methods BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-02-13 US disclosed
EP-2336134-B1 Fitness assay and methods for reducing resistance of HIV to therapy US OF AMERICA REPRESENTED BY THE SECRETARY DEPT OF HEALTH AND HUMAN SERVICES (US) 2016-08-31 EP disclosed
EP-1088098-B2 FITNESS ASSAY AND METHODS FOR REDUCING RESISTANCE OF HIV TO THERAPY US OF AMERICA REPRESENTED BY THE SECRETARY DEPT OF HEALTH AND HUMAN SERVICES (US) 2015-07-01 EP disclosed
US-20140011815-A1 FITNESS ASSAY AND ASSOCIATED METHODS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2014-01-09 US disclosed
US-8597876-B2 Method of treating HIV infection THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2013-12-03 US disclosed
EP-2336134-A1 Fitness assay and methods for reducing resistance of HIV to therapy The United States of America, represented by the Secretary, Department of Health and Human Services (US) 2011-06-22 EP disclosed
US-7157489-B2 HIV protease inhibitors THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2007-01-02 US disclosed
US-7157489-B2 HIV protease inhibitors THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2007-01-02 US disclosed
US-7157489-B2 HIV protease inhibitors THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2007-01-02 US disclosed
US-20050158713-A1 Fluorogenic; for measuring anti-HIV protease activity of inhibitor; drug resistance; bioavailability THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2005-07-21 US disclosed
EP-1485387-A1 CARBAMATES AS HIV PROTEASE INHIBITORS BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2004-12-15 EP disclosed
US-20040039016-A1 HIV protease inhibitors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-02-26 US disclosed
WO-2003078438-A1 CARBAMATES AS HIV PROTEASE INHIBITORS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2003-09-25 WO disclosed
EP-1088098-A2 FITNESS ASSAY AND ASSOCIATED METHODS UNITED STATES OF AMERICA REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND SOCIAL SERVICES (US) 2001-04-04 EP disclosed
WO-1999067254-A2 MULTI-DRUG RESISTANT RETROVIRAL PROTEASE INHIBITORS AND USE THEREOF THE UNITED STATES OF AMERICA REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1999-12-29 WO disclosed
WO-1999067417-A2 FITNESS ASSAY AND ASSOCIATED METHODS THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1999-12-29 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 (3 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-20140011815-A1 FITNESS ASSAY AND ASSOCIATED METHODS CPS1, CTSS, TST CHRM2 2349/4885CHRM4 2665/4885CHRM5 2876/4885
US-20040039016-A1 HIV protease inhibitors SERPINB1, TMPRSS15, DNPEP CHRM2 4823/4885CHRM4 4688/4885CHRM5 4606/4885
US-20200108075-A1 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF PHKG1, MAP4K5, HIPK1 CHRM2 4689/4885CHRM4 4696/4885CHRM5 4782/4885

“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.