SCHEMBL30139355

SCHEMBL30139355

CC(C)(O)c1ccn2c(-c3cc(-c4ccc(F)cc4C#N)ccc3F)cnc2c1F

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 20/20 0.70
GABRG2 P18507 20/20 0.70
GABRB3 P28472 20/20 0.70
GABRA3 P34903 17/20 0.70
GABRA5 P31644 14/20 0.59
GABRA2 P47869 6/20 0.59

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
SCHEMBL2657954 1.00 GABRA1 (0.70) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2659281 0.93 GABRA1 (0.81) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2659917 0.90 GABRA1 (0.86) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2659569 0.88 GABRA1 (0.66) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2659759 0.88 GABRA1 (0.61) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2659859 0.87 GABRA1 (0.81) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2659881 0.87 GABRA1 (0.61) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2658720 0.86 GABRA1 (0.61) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2659472 0.86 GABRA1 (0.79) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2658463 0.84 GABRA1 (0.68) GABRA1GABRG2GABRB3GABRA3GABRA5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230031479-A1 METHODS AND COMPOSITIONS FOR REDUCING TACTILE DYSFUNCTION AND ANXIETY ASSOCIATED WITH AUTISM SPECTRUM DISORDER, RETT SYNDROME, AND FRAGILE X SYNDROME PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-02-02 US claimed
US-20250186429-A1 METHODS AND COMPOSITIONS FOR REDUCING TACTILE DYSFUNCTION AND ANXIETY ASSOCIATED WITH AUTISM SPECTRUM DISORDER, RETT SYNDROME, AND FRAGILE X SYNDROME PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2025-06-12 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 (2 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-20250186429-A1 METHODS AND COMPOSITIONS FOR REDUCING TACTILE DYSFUNCTION AND ANXIETY ASSOCIATED WITH AUTISM SPECTRUM DISORDER, RETT SYNDROME, AND FRAGILE X SYNDROME MECP2, GABBR1, GABBR2 GABRA1 11/4885GABRG2 12/4885GABRB3 6/4885
US-20230031479-A1 METHODS AND COMPOSITIONS FOR REDUCING TACTILE DYSFUNCTION AND ANXIETY ASSOCIATED WITH AUTISM SPECTRUM DISORDER, RETT SYNDROME, AND FRAGILE X SYNDROME MECP2, GABBR1, GABBR2 GABRA1 11/4885GABRG2 12/4885GABRB3 6/4885

“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.