SCHEMBL19255201

SCHEMBL19255201

Cc1cc2cc(C#N)ccc2n1C(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 10/20 0.52
NR1H3 Q13133 2/20 0.42
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRA6 Q16445 1/20 0.40
GPR119 Q8TDV5 3/20 0.39
CNR1 P21554 3/20 0.38
EGLN2 Q96KS0 1/20 0.37

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
SCHEMBL12685167 0.90 NR1H2 (0.43) NR1H2NR1H3GABRA1GABRG2GABRB3
SCHEMBL29955533 0.84 NR1H2 (0.48) NR1H2NR1H3GABRA1GABRG2GABRB3
SCHEMBL12804182 0.84 NR1H2 (0.48) NR1H2NR1H3GABRA1GABRG2GABRB3
SCHEMBL757548 0.84 NR1H2 (0.48) NR1H2NR1H3GABRA1GABRG2GABRB3
SCHEMBL12803799 0.83 NR1H2 (0.52) NR1H2NR1H3GABRA1GABRG2GABRB3
SCHEMBL10173695 0.82 NR1H2 (0.49) NR1H2NR1H3GABRG2GABRB3GABRA5
SCHEMBL3001991 0.82 NR1H2 (0.65) NR1H2NR1H3
SCHEMBL18966700 0.81 ESR2 (0.43) NR1H2NR1H3GABRG2GABRB3GABRA5
SCHEMBL3012171 0.80 NR1H2 (0.56) NR1H2NR1H3CNR1
SCHEMBL4389624 0.80 AKR1C3 (0.49) NR1H2NR1H3CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109071533-B Halogenated allylamine indole and azaindole derivative inhibitors of lysyl oxidase and uses thereof 法玛西斯有限公司 2021-05-25 CN disclosed
US-20200317666-A1 HALOALLYLAMINE INDOLE AND AZAINDOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2020-10-08 US disclosed
US-10717733-B2 Haloallylamine indole and azaindole derivative inhibitors of lysyl oxidases and uses thereof PHARMAXIS LTD. (AU) 2020-07-21 US disclosed
US-20190040007-A1 HALOALLYLAMINE INDOLE AND AZAINDOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2019-02-07 US disclosed
WO-2017136870-A9 HALOALLYLAMINE INDOLE AND AZAINDOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2018-02-15 WO disclosed
WO-2017136870-A1 HALOALLYLAMINE INDOLE AND AZAINDOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2017-08-17 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 (3 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-10717733-B2 Haloallylamine indole and azaindole derivative inhibitors of lysyl oxidases and uses thereof IDO1, IDO2, INMT NR1H2 2636/4885NR1H3 2544/4885GABRA1 3934/4885
US-20190040007-A1 HALOALLYLAMINE INDOLE AND AZAINDOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF IDO1, IDO2, INMT NR1H2 2636/4885NR1H3 2544/4885GABRA1 3934/4885
US-20200317666-A1 HALOALLYLAMINE INDOLE AND AZAINDOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF IDO1, IDO2, INMT NR1H2 2636/4885NR1H3 2544/4885GABRA1 3934/4885

“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.