SCHEMBL21632035

SCHEMBL21632035

N#CC(CCC(=O)O)c1c(F)ccc(F)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.36
PTGFR P43088 4/20 0.35
CYP3A4 P08684 2/20 0.35
FFAR4 Q5NUL3 4/20 0.35
FFAR1 O14842 2/20 0.35
TNF P01375 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CPA3 P15088 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 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
SCHEMBL21632375 0.83 CES2 (0.38) CCR1PTGFRFFAR4FFAR1ALDH1A1
SCHEMBL21632051 0.83 ALDH1A1 (0.42) CCR1PTGFRALDH1A1KMT2A
SCHEMBL21632095 0.83 PTGFR (0.37) CCR1PTGFRFFAR4FFAR1CYP2D6
SCHEMBL21631958 0.81 PTGFR (0.39) CCR1PTGFRFFAR4FFAR1ALDH1A1
SCHEMBL21656112 0.80 CTSS (0.34) CCR1
SCHEMBL21631935 0.79 PTGFR (0.33) PTGFRALDH1A1MEN1KMT2ACPA3
SCHEMBL21956246 0.77 AKR1B1 (0.41) FFAR1ALDH1A1MEN1KMT2ACPA3
SCHEMBL20534596 0.77 FFAR4 (0.41) PTGFRCYP3A4FFAR4FFAR1CYP1A2
SCHEMBL21631905 0.77 PTGFR (0.32) CCR1PTGFRFFAR4FFAR1CYP2D6
SCHEMBL24204701 0.75 GPR17 (0.37) PTGFRFFAR4FFAR1

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 CCR1 543/4885PTGFR 1050/4885CYP3A4 514/4885
US-20200157073-A1 SUBSTITUTED N-ARYLETHYL-2-AMINOQUINOLINE-4-CARBOXAMIDES AND USE THEREOF AADAC, ARG2, GOT2 CCR1 1073/4885PTGFR 1184/4885CYP3A4 747/4885
US-11149018-B2 Substituted N-arylethyl-2-aminoquinoline-4-carboxamides and use thereof AADAC, ARG2, GOT2 CCR1 1073/4885PTGFR 1184/4885CYP3A4 747/4885
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof AADAC, NAT1, EPX CCR1 543/4885PTGFR 1050/4885CYP3A4 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.