SCHEMBL18798155

SCHEMBL18798155

C[C@@H]1Nc2ccc(F)cc2C(NC(=O)OCc2ccccc2)[C@H]1C

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 1/20 0.61
NAAA Q02083 9/20 0.43
MGLL Q99685 1/20 0.41
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39

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
SCHEMBL17452333 1.00 KCNQ2 (0.61) KCNQ2NAAAMGLLALDH1A1GAA
SCHEMBL30011456 1.00 KCNQ2 (0.61) KCNQ2NAAAMGLLALDH1A1GAA
SCHEMBL18798099 0.89 KCNQ2 (0.58) KCNQ2NAAAMGLLALDH1A1GAA
SCHEMBL17452304 0.89 KCNQ2 (0.58) KCNQ2NAAAMGLLALDH1A1GAA
SCHEMBL21172790 0.88 KCNQ2 (0.62) KCNQ2NAAAALDH1A1GAAIDO1
SCHEMBL21173172 0.88 KCNQ2 (0.62) KCNQ2NAAAALDH1A1GAAIDO1
SCHEMBL30012431 0.87 KCNQ2 (0.61) KCNQ2NAAAALDH1A1GAAIDO1
SCHEMBL16061486 0.87 KCNQ2 (0.61) KCNQ2NAAAALDH1A1GAAIDO1
SCHEMBL17452287 0.87 KCNQ2 (0.61) KCNQ2NAAAALDH1A1GAAIDO1
SCHEMBL18798037 0.87 KCNQ2 (0.56) KCNQ2NAAAMGLLALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230040299-A1 2,3-DISUBSTITUTED 1-ACYL-4-AMINO-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2023-02-09 US disclosed
US-20210046073-A1 2,3-DISUBSTITUTED 1-ACYL-4-AMINO-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2021-02-18 US disclosed
US-10034881-B2 2,3-disubstituted 1 -acyl-4-amino-1,2,3,4-tetrahydroquinoline derivatives and their use as bromodomain inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2018-07-31 US disclosed
US-20170189401-A1 2,3-DISUBSTITUTED 1 -ACYL-4-AMINO-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-07-06 US disclosed
US-9637456-B2 2,3-disubstituted 1-acyl-4-amino-1,2,3,4-tetrahydroquinoline derivatives and their use as bromodomain inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2017-05-02 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 (4 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-20210046073-A1 2,3-DISUBSTITUTED 1-ACYL-4-AMINO-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 KCNQ2 244/4885NAAA 120/4885MGLL 992/4885
US-20230040299-A1 2,3-DISUBSTITUTED 1-ACYL-4-AMINO-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 KCNQ2 244/4885NAAA 120/4885MGLL 992/4885
US-20170189401-A1 2,3-DISUBSTITUTED 1 -ACYL-4-AMINO-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 KCNQ2 244/4885NAAA 120/4885MGLL 992/4885
US-10034881-B2 2,3-disubstituted 1 -acyl-4-amino-1,2,3,4-tetrahydroquinoline derivatives and their use as bromodomain inhibitors BRD4, BRD3, BRD2 KCNQ2 244/4885NAAA 120/4885MGLL 992/4885

“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.