SCHEMBL2352291

SCHEMBL2352291

CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 19/20 1.00
GABRG2 P18507 19/20 1.00
GABRB3 P28472 19/20 1.00
GABRA3 P34903 19/20 1.00
GABRA2 P47869 19/20 1.00
GABRA5 P31644 18/20 1.00
GABRA6 Q16445 15/20 1.00
GABRA4 P48169 11/20 1.00
GABRP O00591 6/20 1.00
GABRD O14764 6/20 1.00
GABRB1 P18505 6/20 1.00
GABRB2 P47870 6/20 1.00
GABRE P78334 6/20 1.00
GABRG1 Q8N1C3 6/20 1.00
GABRG3 Q99928 6/20 1.00
GABRQ Q9UN88 6/20 1.00
ALDH1A1 P00352 3/20 0.74
MAPT P10636 3/20 0.74
KDM4E B2RXH2 2/20 0.74
PDE5A O76074 2/20 0.74

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
SCHEMBL29635240 1.00 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA3GABRA2
Beta-Ccm SCHEMBL1066725 0.85 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA3GABRA2
Beta-Ccm SCHEMBL30480071 0.85 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA3GABRA2
Beta-Ccm SCHEMBL28185000 0.84 GABRA1 (0.97) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL17517484 0.84 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL29672619 0.82 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL30274389 0.82 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL601711 0.82 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL8845187 0.82 GABRA1 (0.78) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL10857122 0.80 GABRA1 (0.75) GABRA1GABRG2GABRB3GABRA3GABRA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2260846-A1 Novel methods for the treatment of cancer Lankenau Institute for Medical Research (US) 2010-12-15 EP claimed
EP-1606285-A4 NOVEL IDO INHIBITORS AND METHODS OF USE LANKENAU INST MEDICAL RES (US) 2009-03-18 EP claimed
EP-1613308-A4 NOVEL METHODS FOR THE TREATMENT OF CANCER LANKENAU INST MEDICAL RES (US) 2008-02-20 EP claimed
US-20070173524-A1 \"Novel ido inhibitors and methods of use LANKENAU INSTITUTE FOR MEDICAL RESEARCH 2007-07-26 US claimed
US-20070099844-A1 Novel methods for the treatment of cancer LANKENAU INSTITUTE FOR MEDICAL RESEARCH 2007-05-03 US claimed
EP-1613308-A1 NOVEL METHODS FOR THE TREATMENT OF CANCER Lankenau Institute for Medical Research (US) 2006-01-11 EP claimed
EP-1606285-A1 NOVEL IDO INHIBITORS AND METHODS OF USE Lankenau Institute for Medical Research (US) 2005-12-21 EP claimed
WO-2004094409-A1 NOVEL IDO INHIBITORS AND METHODS OF USE LANKENAU INSTITUTE FOR MEDICAL RESEARCH (US) 2004-11-04 WO claimed
WO-2004093871-A1 NOVEL METHODS FOR THE TREATMENT OF CANCER LANKENAU INSTITUTE FOR MEDICAL RESEARCH (US) 2004-11-04 WO claimed
US-10835513-B2 Methods and treatments for the learning and memory deficits associated with Noonan syndrome THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-11-17 US disclosed
US-20200316087-A1 NOVEL COMBINATION THERAPY FOR ANXIETY DISORDERS, EPILEPSY, AND PAIN THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK 2020-10-08 US disclosed
US-20200085790-A1 BACLOFEN AND ACAMPROSATE BASED THERAPY OF NEUROLOGICAL DISORDERS PHARNEXT (FR) 2020-03-19 US disclosed
WO-2019070910-A1 NOVEL COMBINATION THERAPY FOR ANXIETY DISORDERS, EPILEPSY, AND PAIN UWM RESEARCH FOUNDATION, INC. (US) 2019-04-11 WO disclosed
EP-2260846-B1 Novel methods for the treatment of cancer LANKENAU INST MEDICAL RES (US) 2018-11-28 EP disclosed
US-20070099844-A1 Novel methods for the treatment of cancer LANKENAU INSTITUTE FOR MEDICAL RESEARCH 2007-05-03 US disclosed
US-20060258643-A1 GABAERGIC AGENTS TO TREAT MEMORY DEFICITS WISYS TECHNOLOGY FOUNDATION, INC. (US) 2006-11-16 US disclosed
EP-1613308-A1 NOVEL METHODS FOR THE TREATMENT OF CANCER Lankenau Institute for Medical Research (US) 2006-01-11 EP disclosed
WO-2005120496-A2 TREATING LEARNING DEFICITS WITH INHIBITORS OF HMG CoA REDUCTASE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-12-22 WO disclosed
WO-2004093871-A1 NOVEL METHODS FOR THE TREATMENT OF CANCER LANKENAU INSTITUTE FOR MEDICAL RESEARCH (US) 2004-11-04 WO disclosed
US-20030176456-A1 Methods for reducing alcohol cravings in chronic alcoholics NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-09-18 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 (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-20070173524-A1 \"Novel ido inhibitors and methods of use IDO1, IDO2, INMT GABRA1 3846/4885GABRG2 3501/4885GABRB3 2794/4885
US-20060258643-A1 GABAERGIC AGENTS TO TREAT MEMORY DEFICITS GABRA5, GABRA6, GABRA1 GABRA1 3/4885GABRG2 16/4885GABRB3 10/4885
US-20200316087-A1 NOVEL COMBINATION THERAPY FOR ANXIETY DISORDERS, EPILEPSY, AND PAIN GABRB2, GABRB1, GABRB3 GABRA1 5/4885GABRG2 11/4885GABRB3 3/4885

“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.