SCHEMBL21656592

SCHEMBL21656592

COc1ccccc1C(CN)CC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MTNR1A P48039 3/20 0.41
MTNR1B P49286 3/20 0.41
ITGA4 P13612 1/20 0.39
ITGB7 P26010 1/20 0.39
GAA P10253 1/20 0.39
CTSD P07339 1/20 0.38
KMT2A Q03164 1/20 0.38
CACNA1B Q00975 1/20 0.38
GABBR2 O75899 1/20 0.36
GABBR1 Q9UBS5 1/20 0.36
DRD2 P14416 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA1A P35348 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 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
SCHEMBL21656598 0.89 L3MBTL1 (0.40) POLBHTTNPSR1L3MBTL1GAA
SCHEMBL21656317 0.87 KCNK3 (0.38) POLBHTTNPSR1L3MBTL1MTNR1A
SCHEMBL21656122 0.86 L3MBTL1 (0.45) POLBHTTNPSR1L3MBTL1MTNR1A
SCHEMBL21656120 0.86 MTNR1A (0.40) POLBHTTNPSR1L3MBTL1MTNR1A
SCHEMBL21656204 0.84 GABBR2 (0.37) POLBHTTNPSR1L3MBTL1KMT2A
SCHEMBL16971251 0.84 GAA (0.41) POLBHTTNPSR1L3MBTL1MTNR1A
SCHEMBL21656316 0.83 NISCH (0.41) KMT2AGABBR2GABBR1LMNACYP1A2
SCHEMBL28742011 0.83 POLB (0.46) POLBHTTNPSR1L3MBTL1MTNR1A
SCHEMBL8770864 0.81 POLB (0.47) POLBHTTNPSR1L3MBTL1MTNR1A
SCHEMBL21656116 0.81 POLB (0.40) POLBKMT2ACACNA1BGABBR2GABBR1

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.