SCHEMBL21632052

SCHEMBL21632052

NCC(CC(=O)O)c1ccccc1C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 5/20 0.56
GABBR1 Q9UBS5 5/20 0.56
CNR2 P34972 1/20 0.47
ACP3 P15309 1/20 0.44
LMNA P02545 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP3A4 P08684 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
NFKB1 P19838 1/20 0.44
DRD3 P35462 1/20 0.44
BLM P54132 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 1/20 0.44
THRB P10828 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
CACNA2D1 P54289 1/20 0.42
CACNA1B Q00975 1/20 0.42

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
SCHEMBL13703408 1.00 GABBR2 (0.56) GABBR2GABBR1CNR2ACP3LMNA
SCHEMBL195513 0.90 CNR2 (0.51) GABBR2GABBR1CNR2ACP3CACNA2D1
SCHEMBL195533 0.86 CNR2 (0.46) GABBR2GABBR1CNR2ACP3CYP2C19
SCHEMBL21632043 0.85 CNR2 (0.45) GABBR2GABBR1CNR2ACP3CYP1A2
SCHEMBL11087481 0.83 HTR2C (0.42) CNR2ACP3CACNA2D1CACNA1BCACNB1
SCHEMBL13703411 0.82 CNR2 (0.43) GABBR2GABBR1CNR2ACP3CYP2C9
SCHEMBL27697258 0.82 CNR2 (0.50) CNR2ACP3CACNA2D1CACNA1BCACNB1
SCHEMBL28199545 0.82 CNR2 (0.50) CNR2ACP3CACNA2D1CACNA1BCACNB1
SCHEMBL21656116 0.80 POLB (0.40) GABBR2GABBR1CNR2ACP3LMNA
SCHEMBL256793 0.80 ACP3 (0.41) GABBR2GABBR1CNR2ACP3CACNA2D1

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 3 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
CN-110730776-A Substituted N-arylethyl-2-arylquinoline-4-carboxamides and their use 拜耳股份公司 2020-01-24 CN 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 1557/4885CNR2 14/4885
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof AADAC, NAT1, EPX GABBR2 1861/4885GABBR1 1557/4885CNR2 14/4885

“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.