SCHEMBL21656183

SCHEMBL21656183

COc1cccc(F)c1C(C#N)CC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MTNR1A P48039 3/20 0.39
MTNR1B P49286 3/20 0.39
CTSS P25774 3/20 0.36
CTSK P43235 3/20 0.36
HTT P42858 2/20 0.33
P2RX7 Q99572 1/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
STING1 Q86WV6 1/20 0.33
NPC1 O15118 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
ITGA4 P13612 1/20 0.33
ITGB7 P26010 1/20 0.33
CACNA1B Q00975 1/20 0.32

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
SCHEMBL30502337 0.90 CTSS (0.40) KMT2AMTNR1AMTNR1BCTSSCTSK
SCHEMBL21656297 0.84 RIPK1 (0.39) KMT2ACTSSCTSKHTTNPSR1
SCHEMBL21632346 0.84 KMT2A (0.48) KMT2AHTTPOLBNPSR1L3MBTL1
SCHEMBL21656298 0.81 HTT (0.46) KMT2AMTNR1AMTNR1BCTSSCTSK
SCHEMBL21708781 0.80 KMT2A (0.39) KMT2AHTTPOLBNPSR1L3MBTL1
SCHEMBL21656364 0.80 MTNR1A (0.40) KMT2AMTNR1AMTNR1BHTTPOLB
SCHEMBL21656566 0.79 ITGA4 (0.37) KMT2AMTNR1AMTNR1BCTSSCTSK
SCHEMBL21656176 0.79 KMT2A (0.41) KMT2AMTNR1AMTNR1BHTTP2RX7
SCHEMBL21656113 0.78 CTSS (0.38) KMT2ACTSSCTSK
SCHEMBL21656647 0.77 KMT2A (0.34) KMT2AMTNR1AMTNR1BCTSSCTSK

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 KMT2A 921/4885MTNR1A 367/4885MTNR1B 289/4885
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof AADAC, NAT1, EPX KMT2A 921/4885MTNR1A 367/4885MTNR1B 289/4885

“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.