SCHEMBL7249774

SCHEMBL7249774

Cc1cc(-c2nnc3c4ccccc4c(OCc4cnnn4C)nn23)no1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 19/20 1.00
GABRG2 P18507 19/20 1.00
GABRB3 P28472 19/20 1.00
GABRA5 P31644 19/20 1.00
GABRA3 P34903 19/20 1.00
GABRA2 P47869 18/20 1.00
GABRA4 P48169 2/20 0.67
GABRA6 Q16445 1/20 0.67
CACNA2D1 P54289 1/20 0.55

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
SCHEMBL7207871 0.89 GABRA1 (0.80) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7478641 0.89 GABRA1 (0.80) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7455510 0.88 GABRA1 (0.79) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7458083 0.87 GABRA1 (0.77) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7479195 0.87 GABRA1 (0.76) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7475583 0.85 GABRA1 (0.74) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7480257 0.84 GABRA1 (0.72) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7249582 0.84 GABRA1 (0.72) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7479860 0.83 GABRA1 (0.83) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1654855 0.83 GABRA1 (0.72) 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-9078874-B2 Composition and method for treating cognitive impairments in down syndrom subjects Centre National de la Recherche Scientifique—CNRS (FR) 2015-07-14 US disclosed
US-9078874-B2 Composition and method for treating cognitive impairments in down syndrom subjects Centre National de la Recherche Scientifique—CNRS (FR) 2015-07-14 US disclosed
US-20120283248-A1 COMPOSITION AND METHOD FOR TREATING COGNITIVE IMPAIRMENTS IN DOWN SYNDROM SUBJECTS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS (FR) 2012-11-08 US disclosed
US-20120283248-A1 COMPOSITION AND METHOD FOR TREATING COGNITIVE IMPAIRMENTS IN DOWN SYNDROM SUBJECTS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS (FR) 2012-11-08 US disclosed
US-6534505-B2 Cognition activators, treatment of Alzheimer's disease MERCK & CO., INC. 2003-03-18 US disclosed
US-6448249-B1 Substituted 1,2,4-triazolo[3,4-A]phthalazine derivatives as GABAα5 ligands MERCK SHARP & DOHME LTD. (GB) 2002-09-10 US disclosed
US-6440967-B1 Combination of a GABAA alpha 5 inverse agonist and COX-2 inhibitor, NSAID, estrogen or vitamin E MERCK & CO., INC. 2002-08-27 US disclosed
EP-0986562-B1 SUBSTITUTED 1,2,4-TRIAZOLO 3,4-A]PHTHALAZINE DERIVATIVES AS GABA ALPHA 5 LIGANDS MERCK SHARP & DOHME (GB) 2002-08-07 EP disclosed
US-20010049439-A1 Therapeutic polymorphs of a GABA-A alpha-5 inverse agonist and pamoate formulations of the same MERCK & CO., INC. 2001-12-06 US disclosed
US-6310203-B1 Precursor compounds to substituted 1,2,4-triazolo[3,4,-a]phathalazine GABA alpha 5 ligands MERCK SHARPE & DOHME LIMITED (GB) 2001-10-30 US disclosed
US-6200975-B1 FOR COGNITION ENHANCEMENT THERAPY MERCK SHARP & DOHME LIMITED (GB) 2001-03-13 US disclosed
EP-0986562-A1 SUBSTITUTED 1,2,4-TRIAZOLO 3,4-A]PHTHALAZINE DERIVATIVES AS GABA ALPHA 5 LIGANDS MERCK SHARP & DOHME LTD. (GB) 2000-03-22 EP disclosed
WO-1998050385-A1 SUBSTITUTED 1,2,4-TRIAZOLO[3,4-a]PHTHALAZINE DERIVATIVES AS GABA ALPHA 5 LIGANDS MERCK SHARP & DOHME LIMITED (GB) 1998-11-12 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 (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-20120283248-A1 COMPOSITION AND METHOD FOR TREATING COGNITIVE IMPAIRMENTS IN DOWN SYNDROM SUBJECTS GABRA5, GABRG1, GABRD GABRA1 8/4885GABRG2 5/4885GABRB3 13/4885

“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.