SCHEMBL21656591

SCHEMBL21656591

Cc1ccc(C(CN)CC(=O)OC(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 4/20 0.43
GABBR1 Q9UBS5 4/20 0.43
LMNA P02545 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
NFKB1 P19838 1/20 0.43
DRD3 P35462 1/20 0.43
BLM P54132 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 1/20 0.38
ACHE P22303 1/20 0.37
ALOX5 P09917 1/20 0.37
F2 P00734 1/20 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
SCHEMBL5877532 0.87 GABBR2 (0.42) GABBR2GABBR1LMNACYP2C9CYP2C19
SCHEMBL5877614 0.87 GABBR2 (0.42) GABBR2GABBR1LMNACYP2C9CYP2C19
SCHEMBL5877648 0.87 GABBR2 (0.42) GABBR2GABBR1LMNACYP2C9CYP2C19
SCHEMBL1826531 0.86 KMT2A (0.42) LMNAMEN1KMT2A
SCHEMBL21656318 0.83 GABBR2 (0.42) GABBR2GABBR1GAAF2F10
SCHEMBL5720903 0.81 ACHE (0.39) LMNACYP2C19CYP2D6ACHEALOX5
SCHEMBL8903606 0.80 GABBR2 (0.42) GABBR2GABBR1LMNACYP2C9CYP2C19
SCHEMBL6788866 0.79 GPR119 (0.39) GABBR2GABBR1LMNACYP2C9CYP2C19
SCHEMBL5877834 0.79 GPR119 (0.39) GABBR2GABBR1LMNACYP2C9CYP2C19
SCHEMBL5878001 0.79 GPR119 (0.39) GABBR2GABBR1LMNACYP2C9CYP2C19

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 GABBR2 1861/4885GABBR1 1557/4885LMNA 694/4885
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof AADAC, NAT1, EPX GABBR2 1861/4885GABBR1 1557/4885LMNA 694/4885

“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.