SCHEMBL21632071

SCHEMBL21632071

N#CC(CCC(=O)O)c1cc(F)cc(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
PTGFR P43088 3/20 0.36
GPR17 Q13304 1/20 0.33
DPP4 P27487 1/20 0.33
FAP Q12884 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
FFAR1 O14842 4/20 0.31
FFAR4 Q5NUL3 4/20 0.31
KMT2A Q03164 1/20 0.30
RIPK1 Q13546 1/20 0.30

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
SCHEMBL21632019 0.82 CES2 (0.42) CES2CES1FFAR1FFAR4KMT2A
SCHEMBL23880063 0.82 CES2 (0.35) CES2CES1KMT2ARIPK1
SCHEMBL21631905 0.81 PTGFR (0.32) PTGFRFFAR1FFAR4
SCHEMBL21708737 0.79 CES2 (0.33) CES2CES1
SCHEMBL21632180 0.78 MDM2 (0.38) PTGFRFFAR1FFAR4KMT2A
SCHEMBL21632072 0.77 FFAR1 (0.44) PTGFRFFAR1FFAR4KMT2A
SCHEMBL21632237 0.76 CES2 (0.42) CES2CES1PTGFRGPR17TRPM8
SCHEMBL1095667 0.75 CES2 (0.39) CES2CES1TRPM8KMT2ARIPK1
SCHEMBL21632189 0.75 CCR1 (0.43) CES2CES1FFAR1FFAR4KMT2A
SCHEMBL24204701 0.73 GPR17 (0.37) PTGFRGPR17FFAR1FFAR4

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 CES2 133/4885CES1 155/4885PTGFR 1050/4885
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof AADAC, NAT1, EPX CES2 133/4885CES1 155/4885PTGFR 1050/4885

“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.