SCHEMBL21632005

SCHEMBL21632005

NCC(CCC(=O)O)c1ccccc1OC(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGFR P43088 3/20 0.46
GABBR2 O75899 1/20 0.40
GABBR1 Q9UBS5 1/20 0.40
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
HTT P42858 2/20 0.38
POLB P06746 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 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
SCHEMBL21632017 0.84 POLB (0.54) PTGFRGABBR2GABBR1L3MBTL1HTT
SCHEMBL21656606 0.82 PTGFR (0.36) PTGFRPDE4APDE4BPDE4CPDE4D
SCHEMBL21632009 0.82 PTGFR (0.46) PTGFRGABBR2GABBR1L3MBTL1HTT
SCHEMBL21708695 0.80 MEN1 (0.38) PTGFRPDE4APDE4BPDE4CPDE4D
SCHEMBL21631981 0.80 KMT2A (0.39) PTGFRGABBR2GABBR1PDE4APDE4B
SCHEMBL20534677 0.80 PTGFR (0.43) PTGFRPDE4APDE4BPDE4CPDE4D
SCHEMBL21632058 0.78 GABBR2 (0.45) PTGFRGABBR2GABBR1KMT2AMEN1
SCHEMBL21631921 0.78 PTGFR (0.39) PTGFRPDE4APDE4BPDE4CPDE4D
SCHEMBL21632340 0.75 GABBR2 (0.45) PTGFRGABBR2GABBR1KMT2AMEN1
SCHEMBL21632348 0.75 GABBR2 (0.45) PTGFRGABBR2GABBR1ALDH1A1CYP1A2

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
US-20200031775-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-01-30 US disclosed
CN-110730776-A Substituted N-arylethyl-2-arylquinoline-4-carboxamides and their use 拜耳股份公司 2020-01-24 CN 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 PTGFR 1050/4885GABBR2 1861/4885GABBR1 1557/4885
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof AADAC, NAT1, EPX PTGFR 1050/4885GABBR2 1861/4885GABBR1 1557/4885

“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.