SCHEMBL21631995

SCHEMBL21631995

NCC(CCC(=O)O)c1c(F)ccc(F)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 5/20 0.43
GABBR1 Q9UBS5 5/20 0.43
CYP3A4 P08684 3/20 0.43
LMNA P02545 2/20 0.43
CYP2C9 P11712 2/20 0.43
ADORA3 P0DMS8 1/20 0.43
NFKB1 P19838 1/20 0.43
DRD3 P35462 1/20 0.43
BLM P54132 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
PTGFR P43088 4/20 0.42
TNF P01375 1/20 0.34
FFAR4 Q5NUL3 2/20 0.33
FFAR1 O14842 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
SCHEMBL21632380 0.83 GABBR2 (0.42) GABBR2GABBR1CYP3A4LMNACYP2C9
SCHEMBL21632393 0.82 PTGFR (0.44) GABBR2GABBR1CYP3A4LMNACYP2C9
SCHEMBL21632069 0.82 PTGFR (0.43) GABBR2GABBR1CYP3A4LMNACYP2C9
SCHEMBL21656324 0.80 APP (0.33) GABBR2GABBR1CYP3A4LMNACYP2C9
SCHEMBL21631986 0.79 PTGFR (0.45) GABBR2GABBR1CYP3A4LMNACYP2C9
SCHEMBL21632068 0.78 GABBR2 (0.41) GABBR2GABBR1CYP3A4LMNACYP2C9
SCHEMBL20534596 0.78 FFAR4 (0.41) CYP3A4CYP1A2PTGFRFFAR4FFAR1
SCHEMBL21956255 0.76 GABBR2 (0.42) GABBR2GABBR1CYP3A4LMNACYP2C9
SCHEMBL21632159 0.76 PTGFR (0.39) GABBR2GABBR1CYP3A4LMNACYP2C9
SCHEMBL21632035 0.75 CCR1 (0.36) CYP3A4CYP1A2CYP2D6CYP2C19MEN1

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 GABBR2 1861/4885GABBR1 1557/4885CYP3A4 514/4885
US-20200157073-A1 SUBSTITUTED N-ARYLETHYL-2-AMINOQUINOLINE-4-CARBOXAMIDES AND USE THEREOF AADAC, ARG2, GOT2 GABBR2 1700/4885GABBR1 1451/4885CYP3A4 747/4885
US-11149018-B2 Substituted N-arylethyl-2-aminoquinoline-4-carboxamides and use thereof AADAC, ARG2, GOT2 GABBR2 1700/4885GABBR1 1451/4885CYP3A4 747/4885
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof AADAC, NAT1, EPX GABBR2 1861/4885GABBR1 1557/4885CYP3A4 514/4885

“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.