SCHEMBL7117282

SCHEMBL7117282

CCOC(=O)c1ncc2[nH]c3ccc(OCc4ccccc4)cc3c2c1COC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 14/20 1.00
GABRG2 P18507 14/20 1.00
GABRB3 P28472 14/20 1.00
GABRA5 P31644 14/20 1.00
GABRA3 P34903 14/20 1.00
GABRA2 P47869 12/20 1.00
GABRP O00591 7/20 1.00
GABRD O14764 7/20 1.00
GABRB1 P18505 7/20 1.00
GABRB2 P47870 7/20 1.00
GABRA4 P48169 7/20 1.00
GABRE P78334 7/20 1.00
GABRA6 Q16445 7/20 1.00
GABRG1 Q8N1C3 7/20 1.00
GABRG3 Q99928 7/20 1.00
GABRQ Q9UN88 7/20 1.00
ALDH1A1 P00352 1/20 1.00
MAPT P10636 1/20 1.00
HPGD P15428 1/20 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
SCHEMBL30218831 1.00 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31623721 1.00 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA5GABRA3
Hydrochloric Acid SCHEMBL30416830 0.99 GABRA1 (0.98) GABRA1GABRG2GABRB3GABRA5GABRA3
Hydrochloric Acid SCHEMBL19695338 0.99 GABRA1 (0.98) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10416974 0.93 GABRA1 (0.86) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9840031 0.93 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31623771 0.92 GABRA1 (0.85) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31623728 0.91 GABRA1 (0.84) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31623784 0.91 GABRA1 (0.83) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9426110 0.91 GABRA1 (0.83) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150313913-A1 POSITIVE ALLOSTERIC MODULATORS OF THE GABA-A RECEPTOR IN THE TREATMENT OF AUTISM NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-11-05 US disclosed
US-20150313913-A1 POSITIVE ALLOSTERIC MODULATORS OF THE GABA-A RECEPTOR IN THE TREATMENT OF AUTISM NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-11-05 US 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
US-5700808-A TREATING SLEEP DISTURBANCE, EPILEPSY SCHERING AKTIENGESELLSCHAFT (DE) 1997-12-23 US disclosed
US-5414002-A Anxiolytic agents SCHERING AKTIENGESELLSCHAFT (DE) 1995-05-09 US disclosed
EP-0520987-A1 METHOD OF SUPPRESSING APPETITE BY ADMINISTRATION OF TETRAHYDRO-$g(b)-CARBOLINE DERIVATIVES NEUREX CORPORATION (US) 1993-01-07 EP disclosed
US-5169852-A Anorexigenic agents NEUREX CORPORATION (US) 1992-12-08 US disclosed
US-4978669-A ALTERING MACRONUTRIENT PREFERENCE NEUREX CORPORATION (US) 1990-12-18 US disclosed
WO-1990014827-A1 METHOD OF SUPPRESSING APPETITE BY ADMINISTRATION OF TETRAHYDRO-β-CARBOLINE DERIVATIVES NEUREX CORPORATION (US) 1990-12-13 WO disclosed
EP-0054507-B1 3-SUBSTITUTED BETA-CARBOLINES, PROCESS FOR THEIR PRODUCTION AND COMPOSITIONS CONTAINING THEM SCHERING AKTIENGESELLSCHAFT (DE) 1988-02-17 EP disclosed
US-4596808-A Nervous system disorders SCHERING AKTIENGESELLSCHAFT (DE) 1986-06-24 US disclosed
US-4435403-A TRANQUILIZERS SCHERING AKTIENGESELLSCHAFT (DE) 1984-03-06 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20150313913-A1 POSITIVE ALLOSTERIC MODULATORS OF THE GABA-A RECEPTOR IN THE TREATMENT OF AUTISM GABRB2, GABRA4, GABRB1 GABRA1 5/4885GABRG2 12/4885GABRB3 8/4885

“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.