SCHEMBL21632095

SCHEMBL21632095

N#CC(CCC(=O)O)c1c(Cl)ccc(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGFR P43088 3/20 0.37
CCR1 P32246 2/20 0.34
FFAR1 O14842 2/20 0.33
FFAR4 Q5NUL3 1/20 0.33
GPR17 Q13304 1/20 0.33
FABP4 P15090 1/20 0.32
KDM4E B2RXH2 1/20 0.31
CYP2D6 P10635 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
NOS2 P35228 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL21632051 0.83 ALDH1A1 (0.42) PTGFRCCR1KDM4E
SCHEMBL21632035 0.83 CCR1 (0.36) PTGFRCCR1FFAR1FFAR4CYP2D6
SCHEMBL21631935 0.82 PTGFR (0.33) PTGFRCYP2D6CA1CA2
SCHEMBL21656305 0.81 RAPGEF3 (0.33) CCR1
SCHEMBL21956246 0.81 AKR1B1 (0.41) FFAR1GPR17KDM4ECYP2D6
SCHEMBL21631905 0.81 PTGFR (0.32) PTGFRCCR1FFAR1FFAR4CYP2D6
SCHEMBL20534952 0.78 PTGFR (0.41) PTGFRFFAR4GPR17FABP4KDM4E
SCHEMBL21632375 0.78 CES2 (0.38) PTGFRCCR1FFAR1FFAR4CYP2D6
SCHEMBL21632180 0.77 MDM2 (0.38) PTGFRFFAR1FFAR4
SCHEMBL21632069 0.76 PTGFR (0.43) PTGFRGPR17CYP2D6CA1CA2

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 PTGFR 1050/4885CCR1 543/4885FFAR1 781/4885
US-20200157073-A1 SUBSTITUTED N-ARYLETHYL-2-AMINOQUINOLINE-4-CARBOXAMIDES AND USE THEREOF AADAC, ARG2, GOT2 PTGFR 1184/4885CCR1 1073/4885FFAR1 1059/4885
US-11149018-B2 Substituted N-arylethyl-2-aminoquinoline-4-carboxamides and use thereof AADAC, ARG2, GOT2 PTGFR 1184/4885CCR1 1073/4885FFAR1 1059/4885
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof AADAC, NAT1, EPX PTGFR 1050/4885CCR1 543/4885FFAR1 781/4885

“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.