SCHEMBL21632146

SCHEMBL21632146

COc1ccccc1C(CN)CC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.60
▸ HTT P42858 1/20 0.60
▸ NPSR1 Q6W5P4 1/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ GABBR2 O75899 4/20 0.57
▸ GABBR1 Q9UBS5 4/20 0.57
▸ GAA P10253 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ KMT2A Q03164 2/20 0.46
▸ LMNA P02545 3/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ ADORA3 P0DMS8 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ DRD3 P35462 1/20 0.45
▸ BLM P54132 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ MEN1 O00255 1/20 0.45

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
SCHEMBL18150761 0.90 POLB (0.73) POLBHTTNPSR1L3MBTL1GABBR2
SCHEMBL30781902 0.90 POLB (0.73) POLBHTTNPSR1L3MBTL1GABBR2
SCHEMBL19143619 0.88 GAA (0.51) POLBHTTNPSR1L3MBTL1GABBR2
Hydrochloric Acid SCHEMBL21631970 0.86 GABBR2 (0.53) POLBHTTNPSR1L3MBTL1GABBR2
SCHEMBL14576778 0.85 POLB (0.62) POLBHTTNPSR1L3MBTL1GAA
SCHEMBL17755320 0.85 POLB (0.62) POLBHTTNPSR1L3MBTL1GAA
SCHEMBL21632017 0.84 POLB (0.54) POLBHTTNPSR1L3MBTL1GABBR2
Hydrochloric Acid SCHEMBL21632047 0.83 GAA (0.55) POLBHTTNPSR1L3MBTL1GAA
SCHEMBL18151385 0.83 POLB (0.63) POLBHTTNPSR1L3MBTL1GABBR2
SCHEMBL11078734 0.82 POLB (0.51) POLBHTTNPSR1L3MBTL1GAA

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 POLB 3807/4885HTT 2899/4885NPSR1 2090/4885
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof AADAC, NAT1, EPX POLB 3807/4885HTT 2899/4885NPSR1 2090/4885

“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.

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