SCHEMBL21656574

SCHEMBL21656574

CC(C)(C)OC(=O)CC(C#N)c1ccccc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
CNR2 P34972 2/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ACP3 P15309 1/20 0.35
CTSS P25774 5/20 0.35
CTSK P43235 4/20 0.35
CACNA2D1 P54289 1/20 0.35
CACNA1B Q00975 1/20 0.35
CACNB1 Q02641 1/20 0.35
CACNA1C Q13936 1/20 0.35
LGMN Q99538 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL21656141 0.88 LMNA (0.38) LMNAPOLBCNR2MEN1ALDH1A1
SCHEMBL21656173 0.83 ALDH1A1 (0.44) LMNAMEN1ALDH1A1MAPTKMT2A
SCHEMBL21656299 0.82 KCNK3 (0.37) POLBALDH1A1KMT2ANPSR1CTSS
SCHEMBL21656172 0.82 PRSS1 (0.39) MEN1KMT2ACTSSCTSKCTSL
SCHEMBL21656298 0.82 HTT (0.46) LMNAPOLBALDH1A1MAPTKMT2A
SCHEMBL21632031 0.81 CNR2 (0.46) CNR2ACP3CACNA2D1CACNA1BCACNB1
SCHEMBL21708746 0.80 CNR2 (0.34) POLBCNR2MAPTKMT2AACP3
SCHEMBL21656178 0.80 L3MBTL1 (0.39) POLBMEN1MAPTKMT2ANPSR1
SCHEMBL22230744 0.79 HSD17B10 (0.40) LMNAPOLBMEN1ALDH1A1KMT2A
SCHEMBL14996085 0.78 CTSS (0.48) ALDH1A1KMT2ACTSSCTSKCTSL

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 3 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
EP-3609869-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF Bayer Aktiengesellschaft (DE) 2020-02-19 EP 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 LMNA 694/4885POLB 3807/4885CNR2 14/4885
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof AADAC, NAT1, EPX LMNA 694/4885POLB 3807/4885CNR2 14/4885

“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.