SCHEMBL21656595

SCHEMBL21656595

CC(C)(C)OC(=O)CC(C)(CN)c1ccccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 5/20 0.39
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
KCNE1 P15382 1/20 0.35
KCNQ1 P51787 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
MIF P14174 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL21656363 0.84 CYP2C19 (0.36) KCNN4CYP2C19HIF1ALMNAPOLB
SCHEMBL21656321 0.83 MEN1 (0.42) CYP2C19HIF1APOLBMTNR1AMTNR1B
SCHEMBL21631996 0.81 CYP2C19 (0.53) KCNN4CYP2C19HIF1AKCNE1KCNQ1
SCHEMBL21632070 0.78 SMN1; SMN2 (0.40) LMNAKDM4EALDH1A1
SCHEMBL21708652 0.78 TAS1R3 (0.34) KCNN4KCNE1KCNQ1ADRB2ADRB1
SCHEMBL21656118 0.77 MTNR1A (0.41) MTNR1AMTNR1B
SCHEMBL21656599 0.76 MTNR1A (0.38) MTNR1AMTNR1B
SCHEMBL21656201 0.76 NR3C1 (0.41) MTNR1AMTNR1B
SCHEMBL21656602 0.76 MTNR1A (0.41) MTNR1AMTNR1BKDM4E
SCHEMBL21656119 0.74 CETP (0.42) CYP2C19HIF1ALMNAADRB3KDM4E

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 KCNN4 4303/4885CYP2C19 2854/4885HIF1A 573/4885
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof AADAC, NAT1, EPX KCNN4 4303/4885CYP2C19 2854/4885HIF1A 573/4885

“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.