SCHEMBL21656321

SCHEMBL21656321

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MTNR1A P48039 5/20 0.41
MTNR1B P49286 5/20 0.41
CTSD P07339 1/20 0.38
GAA P10253 2/20 0.37
STING1 Q86WV6 1/20 0.37
ITGA4 P13612 1/20 0.37
ITGB7 P26010 1/20 0.37
DRD2 P14416 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ATM Q13315 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL21656201 0.84 NR3C1 (0.41) MTNR1AMTNR1B
SCHEMBL21656602 0.84 MTNR1A (0.41) MTNR1AMTNR1BSTING1
SCHEMBL21632008 0.84 CYP2C19 (0.49) MEN1KMT2ACTSDGAAALDH1A1
SCHEMBL21656595 0.83 KCNN4 (0.39) MTNR1AMTNR1BALDH1A1POLBCYP2C19
SCHEMBL21656363 0.82 CYP2C19 (0.36) ALDH1A1POLBCYP2C19HIF1AL3MBTL1
SCHEMBL21656118 0.80 MTNR1A (0.41) KMT2AMTNR1AMTNR1BGAASTING1
SCHEMBL21708743 0.78 MEN1 (0.41) MEN1KMT2ACTSDGAAALDH1A1
SCHEMBL21656175 0.78 MTNR1A (0.41) MEN1KMT2AMTNR1AMTNR1BGAA
SCHEMBL21656314 0.77 GAA (0.42) MEN1KMT2AMTNR1AMTNR1BCTSD
SCHEMBL21632350 0.72 GAA (0.44) MEN1KMT2ACTSDGAAALDH1A1

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 MEN1 4338/4885KMT2A 921/4885MTNR1A 367/4885
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof AADAC, NAT1, EPX MEN1 4338/4885KMT2A 921/4885MTNR1A 367/4885

“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.