SCHEMBL21146832

SCHEMBL21146832

CC(C)(C)OC(=O)n1c(I)cc2cnccc21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA5 P31644 2/20 0.43
NR1H2 P55055 12/20 0.39
NR1H3 Q13133 3/20 0.37
GPR119 Q8TDV5 1/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRA6 Q16445 1/20 0.36
NAMPT P43490 2/20 0.36
TTK P33981 2/20 0.35

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
SCHEMBL31758488 0.89 GABRG2 (0.43) GABRG2GABRB3GABRA5NR1H2NR1H3
SCHEMBL6508596 0.85 NR1H2 (0.39) GABRG2GABRB3GABRA5NR1H2NR1H3
SCHEMBL10553045 0.84 NR1H2 (0.39) GABRG2GABRB3GABRA5NR1H2NR1H3
SCHEMBL10552835 0.83 NR1H2 (0.40) GABRG2GABRB3GABRA5NR1H2NR1H3
SCHEMBL18848182 0.82 NR1H2 (0.40) GABRG2GABRB3GABRA5NR1H2NR1H3
SCHEMBL4037148 0.82 CYP2A6 (0.38) GABRG2GABRB3GABRA5NR1H2NR1H3
SCHEMBL18437161 0.82 NR1H2 (0.37) GABRG2GABRB3GABRA5NR1H2NR1H3
SCHEMBL20888261 0.81 GABRG2 (0.42) GABRG2GABRB3GABRA5NR1H2NR1H3
SCHEMBL27108521 0.81 NR1H2 (0.46) GABRG2GABRB3GABRA5NR1H2NR1H3
SCHEMBL17422843 0.80 NR1H2 (0.56) NR1H2NR1H3CA12CA9

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-10906900-B2 Compounds for using in imaging and particularly for the diagnosis of neurodegenerative diseases CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-02-02 US disclosed
US-20190211011-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-07-11 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-10906900-B2 Compounds for using in imaging and particularly for the diagnosis of neurodegenerative diseases PSEN2, CLN6, MAPT GABRG2 1780/4885GABRB3 936/4885GABRA5 1312/4885
US-20190211011-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES PSEN2, SNCA, MAPT GABRG2 1621/4885GABRB3 775/4885GABRA5 1302/4885

“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.