SCHEMBL21656590

SCHEMBL21656590

COc1cccc(C(CN)CC(=O)OC(C)(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
MTNR1A P48039 4/20 0.44
MTNR1B P49286 4/20 0.44
AOC3 Q16853 3/20 0.43
ROCK2 O75116 2/20 0.42
CHEK1 O14757 1/20 0.42
RPS6KA5 O75582 1/20 0.42
MAP4K4 O95819 1/20 0.42
CHEK2 O96017 1/20 0.42
PRKCG P05129 1/20 0.42
CDK1 P06493 1/20 0.42
PRKACA P17612 1/20 0.42
RPS6KB1 P23443 1/20 0.42
CDK2 P24941 1/20 0.42
MAPK1 P28482 1/20 0.42
AKT1 P31749 1/20 0.42
AKT2 P31751 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
IRAK1 P51617 1/20 0.42

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
SCHEMBL27494782 0.84 GABBR2 (0.42) L3MBTL1GAAGABBR2GABBR1
SCHEMBL21656318 0.84 GABBR2 (0.42) AOC3ROCK2GAAGABBR2GABBR1
SCHEMBL21656114 0.83 GABBR2 (0.41) AOC3GAAGABBR2GABBR1
SCHEMBL1369571 0.83 L3MBTL1 (0.52) L3MBTL1MTNR1AMTNR1BAOC3ROCK2
SCHEMBL8770863 0.83 L3MBTL1 (0.66) L3MBTL1MTNR1AMTNR1BAOC3
SCHEMBL21631926 0.82 GABBR2 (0.61) L3MBTL1MTNR1AMTNR1BAOC3GAA
SCHEMBL28300800 0.82 GABBR2 (0.40) GAAGABBR2GABBR1
SCHEMBL2885762 0.82 MTNR1A (0.54) L3MBTL1MTNR1AMTNR1BFFAR1
SCHEMBL1825252 0.80 ALDH1A1 (0.40) GAA
SCHEMBL2882501 0.80 MTNR1A (0.49) L3MBTL1MTNR1AMTNR1BFFAR1

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-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof BAYER AKTIENGESELLSCHAFT (DE) 2021-10-05 US disclosed
US-20200031775-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-01-30 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-20200031775-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF AADAC, NAT1, EPX L3MBTL1 3686/4885MTNR1A 367/4885MTNR1B 289/4885
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof AADAC, NAT1, EPX L3MBTL1 3686/4885MTNR1A 367/4885MTNR1B 289/4885

“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.