SCHEMBL601711

SCHEMBL601711

CCOC(=O)c1cc2c(cn1)[nH]c1ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 13/20 1.00
GABRG2 P18507 13/20 1.00
GABRB3 P28472 13/20 1.00
GABRA5 P31644 13/20 1.00
GABRA3 P34903 13/20 1.00
GABRA2 P47869 13/20 1.00
GABRA6 Q16445 9/20 1.00
GABRA4 P48169 8/20 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 4/20 1.00
MAPT P10636 4/20 1.00
SMN1; SMN2 Q16637 3/20 1.00
KDM4E B2RXH2 3/20 1.00

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
SCHEMBL29672619 1.00 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL30274389 1.00 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA5GABRA3
Beta-Ccm SCHEMBL15648382 0.95 GABRA1 (0.91) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7379654 0.92 GABRA1 (0.84) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2348263 0.90 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2214572 0.88 ALDH1A1 (1.00) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29766941 0.88 ALDH1A1 (1.00) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31163651 0.87 GABRA1 (0.77) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10740909 0.87 GABRA1 (0.77) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7384200 0.87 ALDH1A1 (0.93) GABRA1GABRG2GABRB3GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240082274-A1 FUNGAL COMPOUND COMPOSITIONS AND METHODS FOR MODULATING INFLAMMATION TURTLE BEAR HOLDINGS, LLC 2024-03-14 US claimed
EP-4333838-A1 FUNGAL COMPOUND COMPOSITIONS AND METHODS FOR MODULATING INFLAMMATION Turtle Bear Holdings, LLC (US) 2024-03-13 EP claimed
US-10751330-B2 Human therapeutic agents ANKH LIFE SCIENCES LIMITED (IE) 2020-08-25 US claimed
CN-111349096-A Indole compound and preparation method and application thereof 石河子大学 2020-06-30 CN claimed
US-20200147061-A1 HUMAN THERAPEUTIC AGENTS ANKH LIFE SCIENCES LIMITED (IE) 2020-05-14 US claimed
US-10092550-B2 Therapeutic compositions containing curcumin, harmine, and isovanillin components, and methods of use thereof IONS PHARMACEUTICAL S.À R.L. (LU) 2018-10-09 US claimed
US-20170105975-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF IONS PHARMACEUTICAL S.À R.L. (LU) 2017-04-20 US claimed
US-20170042865-A1 THERAPEUTIC COMPOSITIONS CONTAINING CURCUMIN, HARMINE, AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF IONS PHARMACEUTICAL S.À R.L. (LU) 2017-02-16 US claimed
US-20150094351-A1 COMPOSITION FOR TOPICAL USE THESAN PHARMACEUTICALS, INC. (US) 2015-04-02 US claimed
US-20100324109-A1 Composition for Topical Use THESAN PHARMACEUTICALS, INC. 2010-12-23 US claimed
US-20100009997-A1 METHOD OF TREATING A METABOLIC OR NEUROPSYCHIARTY DISORDER WITH A BH4 DERIVATIVE PRODRUG BIOMARIN PHARMACEUTICAL INC. (US) 2010-01-14 US claimed
WO-2008089148-A1 METHOD OF TREATING A METABOLIC OR NEUROPSYCHIATRY DISORDER WITH A BH4 DERIVATIVE PRODRUG BIOMARIN PHARMACEUTICAL INC. (US) 2008-07-24 WO claimed
EP-0161575-B1 B-CARBOLINE-3-CARBOXYLIC ACID DERIVATIVES, METHOD OF PREPARING THE SAME AND THEIR USE SCHERING AKTIENGESELLSCHAFT (DE) 1990-06-13 EP claimed
EP-0030254-B1 BETA-CARBOLIN-3-CARBOXYLIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR THERAPEUTICAL USE SCHERING AKTIENGESELLSCHAFT (DE) 1984-10-31 EP claimed
EP-0030254-A1 Beta-carbolin-3-carboxylic acid derivatives, pharmaceutical compositions containing them and their therapeutical use SCHERING AKTIENGESELLSCHAFT (DE) 1981-06-17 EP claimed
JP-57004987-A None JP disclosed
US-20250255853-A1 HUMAN THERAPEUTIC AGENTS ANKH LIFE SCIENCES LIMITED (IE) 2025-08-14 US disclosed
EP-0054507-A2 3-Substituted beta-carbolines, process for their production and compositions containing them SCHERING AKTIENGESELLSCHAFT (DE) 1982-06-23 EP disclosed
JP-S574987-A PYRIDOINDOLECARBOXYLIC ACID DERIVATIVE AND ITS PREPARATION SANKYO CO LTD 1982-01-11 JP disclosed
EP-0030254-A1 Beta-carbolin-3-carboxylic acid derivatives, pharmaceutical compositions containing them and their therapeutical use SCHERING AKTIENGESELLSCHAFT (DE) 1981-06-17 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 (8 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-20240082274-A1 FUNGAL COMPOUND COMPOSITIONS AND METHODS FOR MODULATING INFLAMMATION MAOB, TPSG1, TPSB2 GABRA1 3396/4885GABRG2 3469/4885GABRB3 2510/4885
US-10751330-B2 Human therapeutic agents INMT, HNMT, HASPIN GABRA1 1411/4885GABRG2 1612/4885GABRB3 1220/4885
US-20170042865-A1 THERAPEUTIC COMPOSITIONS CONTAINING CURCUMIN, HARMINE, AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF INMT, HNMT, CPT1A GABRA1 1444/4885GABRG2 1697/4885GABRB3 898/4885
US-20100009997-A1 METHOD OF TREATING A METABOLIC OR NEUROPSYCHIARTY DISORDER WITH A BH4 DERIVATIVE PRODRUG PAH, HSD17B4, UGT1A4 GABRA1 1783/4885GABRG2 1826/4885GABRB3 1532/4885
US-10092550-B2 Therapeutic compositions containing curcumin, harmine, and isovanillin components, and methods of use thereof INMT, HNMT, CPT1A GABRA1 1444/4885GABRG2 1697/4885GABRB3 898/4885
US-20170105975-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF INMT, HNMT, COMT GABRA1 943/4885GABRG2 1201/4885GABRB3 554/4885
US-20200147061-A1 HUMAN THERAPEUTIC AGENTS INMT, HNMT, HASPIN GABRA1 1411/4885GABRG2 1612/4885GABRB3 1220/4885
US-20250255853-A1 HUMAN THERAPEUTIC AGENTS HASPIN, TIPARP, SHARPIN GABRA1 2815/4885GABRG2 2851/4885GABRB3 2146/4885

“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.