Sugi Predict

Sugi Predict / Compounds / SCHEMBL17452302

SCHEMBL17452302

SCHEMBL17452302

COc1ccc2c(c1)[C@H](NC(=O)OCc1ccccc1)[C@@H](C)[C@H](C)N2

nearest known ligand 0.80

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KCNQ2 O43526 1/20 0.80
▸ CA1 P00915 3/20 0.45
▸ CA2 P00918 3/20 0.45
▸ ACHE P22303 3/20 0.45
▸ PRNP P04156 1/20 0.43
▸ NAAA Q02083 2/20 0.42
▸ TACR3 P29371 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ BRD2 P25440 1/20 0.41
▸ BRD3 Q15059 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ HSPA1A P0DMV8 1/20 0.39
▸ PTPN7 P35236 1/20 0.39
▸ CPB1 P15086 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
SCHEMBL21172841 1.00 KCNQ2 (0.80) KCNQ2CA1CA2ACHEPRNP
SCHEMBL18798149 1.00 KCNQ2 (0.80) KCNQ2CA1CA2ACHEPRNP
SCHEMBL30011957 1.00 KCNQ2 (0.80) KCNQ2CA1CA2ACHEPRNP
SCHEMBL23711055 0.89 KCNQ2 (1.00) KCNQ2CA1CA2ACHEPRNP
SCHEMBL21172790 0.87 KCNQ2 (0.62) KCNQ2NAAABRD4BRD2BRD3
SCHEMBL21173172 0.87 KCNQ2 (0.62) KCNQ2NAAABRD4BRD2BRD3
SCHEMBL17452364 0.87 KCNQ2 (0.73) KCNQ2CA1CA2ACHEPRNP
SCHEMBL17452287 0.86 KCNQ2 (0.61) KCNQ2NAAAATMALDH1A1
SCHEMBL16061486 0.86 KCNQ2 (0.61) KCNQ2NAAAALDH1A1
SCHEMBL18798155 0.86 KCNQ2 (0.61) KCNQ2NAAAALDH1A1

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 10 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-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-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
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
US-20160016908-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) 2016-01-21 — — US disclosed
US-20160016908-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) 2016-01-21 — — 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 (5 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-20160016908-A1 2,3-DISUBSTITUTED 1 -ACYL-4-AMINO-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 KCNQ2 244/4885CA1 3363/4885CA2 2512/4885
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 244/4885CA1 3363/4885CA2 2512/4885
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 244/4885CA1 3363/4885CA2 2512/4885
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 244/4885CA1 3363/4885CA2 2512/4885
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 244/4885CA1 3363/4885CA2 2512/4885

“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.