SCHEMBL21631997

SCHEMBL21631997

Cc1ccccc1C(CN)CC(=O)O

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 5/20 0.61
GABBR1 Q9UBS5 5/20 0.61
LMNA P02545 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP3A4 P08684 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
NFKB1 P19838 1/20 0.47
DRD3 P35462 1/20 0.47
BLM P54132 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 1/20 0.47
THRB P10828 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.47
CTSA P10619 5/20 0.44

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
SCHEMBL658439 0.89 GABBR2 (0.48) GABBR2GABBR1CTSA
SCHEMBL30781885 0.89 GABBR2 (0.48) GABBR2GABBR1CTSA
SCHEMBL14081313 0.84 CTSA (0.45) GABBR2GABBR1CTSA
SCHEMBL2794839 0.83 CTSA (0.49) GABBR2GABBR1CTSA
SCHEMBL21632348 0.83 GABBR2 (0.45) GABBR2GABBR1CYP1A2CYP2D6CYP2C19
SCHEMBL11287832 0.81 CTSA (0.43) GABBR2GABBR1CTSA
SCHEMBL11081733 0.81 ESR1 (0.48) GABBR2GABBR1CYP3A4TSHR
SCHEMBL2320843 0.80 CTSA (0.47) GABBR2GABBR1CTSA
SCHEMBL5720952 0.80 CTSA (0.47) GABBR2GABBR1CTSA
SCHEMBL2320833 0.80 CTSA (0.47) GABBR2GABBR1CTSA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof BAYER AKTIENGESELLSCHAFT (DE) 2021-10-05 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 (2 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 1557/4885LMNA 694/4885
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof AADAC, NAT1, EPX GABBR2 1861/4885GABBR1 1557/4885LMNA 694/4885

“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.