SCHEMBL21632069

SCHEMBL21632069

NCC(CCC(=O)O)c1c(Cl)ccc(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGFR P43088 4/20 0.43
GABBR2 O75899 5/20 0.41
GABBR1 Q9UBS5 5/20 0.41
LMNA P02545 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP3A4 P08684 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
NFKB1 P19838 1/20 0.41
DRD3 P35462 1/20 0.41
BLM P54132 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
GPR17 Q13304 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 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
SCHEMBL21632393 0.83 PTGFR (0.44) PTGFRGABBR2GABBR1LMNACYP2C9
SCHEMBL21631995 0.82 GABBR2 (0.43) PTGFRGABBR2GABBR1LMNACYP2C9
SCHEMBL21632068 0.82 GABBR2 (0.41) PTGFRGABBR2GABBR1LMNACYP2C9
SCHEMBL21656225 0.81 PTGFR (0.34) PTGFRGABBR2GABBR1LMNACYP2C9
SCHEMBL21956255 0.80 GABBR2 (0.42) GABBR2GABBR1LMNACYP2C9CYP3A4
SCHEMBL21632159 0.80 PTGFR (0.39) PTGFRGABBR2GABBR1LMNACYP2C9
SCHEMBL20534952 0.79 PTGFR (0.41) PTGFRCYP1A2TSHRGPR17
SCHEMBL21632380 0.77 GABBR2 (0.42) PTGFRGABBR2GABBR1LMNACYP2C9
SCHEMBL21632002 0.77 PTGFR (0.42) PTGFRGABBR2GABBR1LMNACYP2C9
SCHEMBL21632095 0.76 PTGFR (0.37) PTGFRCYP2D6GPR17CA1CA2

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 1050/4885GABBR2 1861/4885GABBR1 1557/4885
US-20200157073-A1 SUBSTITUTED N-ARYLETHYL-2-AMINOQUINOLINE-4-CARBOXAMIDES AND USE THEREOF AADAC, ARG2, GOT2 PTGFR 1184/4885GABBR2 1700/4885GABBR1 1451/4885
US-11149018-B2 Substituted N-arylethyl-2-aminoquinoline-4-carboxamides and use thereof AADAC, ARG2, GOT2 PTGFR 1184/4885GABBR2 1700/4885GABBR1 1451/4885
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.