SCHEMBL21632072

SCHEMBL21632072

Cc1ccc(F)cc1C(C#N)CCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.44
FFAR4 Q5NUL3 3/20 0.44
PTGFR P43088 3/20 0.39
KMT2A Q03164 3/20 0.37
CTSA P10619 2/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.35
MEP1B Q16820 1/20 0.35
LMNA P02545 1/20 0.34
TBXA2R P21731 1/20 0.34

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 0.85 CES2 (0.42) FFAR1FFAR4KMT2A
SCHEMBL21632180 0.84 MDM2 (0.38) FFAR1FFAR4PTGFRKMT2A
SCHEMBL21656308 0.83 FFAR1 (0.36) FFAR1FFAR4KMT2A
SCHEMBL20534476 0.81 FFAR1 (0.44) FFAR1FFAR4PTGFRKMT2ACTSA
SCHEMBL21708588 0.81 FFAR1 (0.34) FFAR1FFAR4PTGFRKMT2A
SCHEMBL21632003 0.79 ALDH1A1 (0.43) FFAR1FFAR4KMT2ATSHRMEN1
SCHEMBL21631904 0.77 PTGFR (0.46) FFAR1FFAR4PTGFRKMT2ACTSA
SCHEMBL21632071 0.77 CES2 (0.42) FFAR1FFAR4PTGFRKMT2A
SCHEMBL21632189 0.73 CCR1 (0.43) FFAR1FFAR4KMT2ATSHRMEN1
SCHEMBL12493400 0.71 CTSA (0.43) FFAR1FFAR4CTSAMEP1B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11149018-B2 Substituted N-arylethyl-2-aminoquinoline-4-carboxamides and use thereof BAYER AKTIENGESELLSCHAFT (DE) 2021-10-19 US disclosed
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof BAYER AKTIENGESELLSCHAFT (DE) 2021-10-05 US disclosed
US-20200157073-A1 SUBSTITUTED N-ARYLETHYL-2-AMINOQUINOLINE-4-CARBOXAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-05-21 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 (4 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 FFAR1 781/4885FFAR4 185/4885PTGFR 1050/4885
US-20200157073-A1 SUBSTITUTED N-ARYLETHYL-2-AMINOQUINOLINE-4-CARBOXAMIDES AND USE THEREOF AADAC, ARG2, GOT2 FFAR1 1059/4885FFAR4 247/4885PTGFR 1184/4885
US-11149018-B2 Substituted N-arylethyl-2-aminoquinoline-4-carboxamides and use thereof AADAC, ARG2, GOT2 FFAR1 1059/4885FFAR4 247/4885PTGFR 1184/4885
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof AADAC, NAT1, EPX FFAR1 781/4885FFAR4 185/4885PTGFR 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.