SCHEMBL21632034

SCHEMBL21632034

NCC(CCC(=O)O)c1cc(F)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
GABBR2 O75899 5/20 0.36
GABBR1 Q9UBS5 5/20 0.36
LMNA P02545 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP3A4 P08684 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
NFKB1 P19838 1/20 0.36
DRD3 P35462 1/20 0.36
BLM P54132 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 1/20 0.36
THRB P10828 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36

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
SCHEMBL21632002 0.88 PTGFR (0.42) GABBR2GABBR1LMNACYP2C9CYP3A4
SCHEMBL21631904 0.85 PTGFR (0.46) LMNAMEN1KMT2AFFAR1FFAR4
SCHEMBL21632237 0.82 CES2 (0.42) CES2CES1GABBR2GABBR1CYP1A2
SCHEMBL21632058 0.81 GABBR2 (0.45) CES2CES1GABBR2GABBR1CYP1A2
SCHEMBL11078155 0.80 CES2 (0.42) CES2CES1GABBR2GABBR1CYP3A4
SCHEMBL21656362 0.80 CES2 (0.36) CES2CES1PSEN1PSEN2APH1B
SCHEMBL20534712 0.78 CES2 (0.44) CES2CES1KMT2AFFAR1FFAR4
SCHEMBL21708593 0.77 CES2 (0.34) CES2CES1FFAR1FFAR4PSEN1
SCHEMBL21632019 0.76 CES2 (0.42) CES2CES1KMT2AFFAR1FFAR4
SCHEMBL21632159 0.73 PTGFR (0.39) GABBR2GABBR1LMNACYP2C9CYP3A4

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 CES2 133/4885CES1 155/4885GABBR2 1861/4885
US-20200157073-A1 SUBSTITUTED N-ARYLETHYL-2-AMINOQUINOLINE-4-CARBOXAMIDES AND USE THEREOF AADAC, ARG2, GOT2 CES2 214/4885CES1 306/4885GABBR2 1700/4885
US-11149018-B2 Substituted N-arylethyl-2-aminoquinoline-4-carboxamides and use thereof AADAC, ARG2, GOT2 CES2 214/4885CES1 306/4885GABBR2 1700/4885
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof AADAC, NAT1, EPX CES2 133/4885CES1 155/4885GABBR2 1861/4885

“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.