SCHEMBL16490799

SCHEMBL16490799

CCOC(=O)C1(Cc2cccc(F)c2)CN(C(=O)OC(C)(C)C)CCC1=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 2/20 0.45
GPR119 Q8TDV5 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 3/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 4/20 0.42
MAPT P10636 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
GRM5 P41594 2/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41
CCNT1 O60563 1/20 0.41
GLA P06280 1/20 0.39
GRM1 Q13255 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
CDK9 P50750 1/20 0.38

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
SCHEMBL5246761 0.89 CNR1 (0.39) MEN1KMT2AGRM5GAAGRM1
SCHEMBL5246757 0.89 CNR1 (0.39) MEN1KMT2AGRM5GAAGRM1
SCHEMBL5246764 0.89 CNR1 (0.39) MEN1KMT2AGRM5GAAGRM1
SCHEMBL4479936 0.88 LMNA (0.42) MEN1KMT2AALDH1A1GPR119L3MBTL1
SCHEMBL25090325 0.80 GRM5 (0.44) MEN1KMT2AALDH1A1POLBHTT
SCHEMBL30201137 0.80 GRM5 (0.44) MEN1KMT2AALDH1A1POLBHTT
SCHEMBL5230371 0.80 GPR119 (0.38) ALDH1A1GPR119L3MBTL1TDP1CYP3A4
SCHEMBL22309108 0.80 MEN1 (0.68) MEN1KMT2AALDH1A1GPR119L3MBTL1
SCHEMBL2350223 0.80 ADORA1 (0.42) ALDH1A1GRM5GLA
SCHEMBL6414267 0.79 CYP11B2 (0.36) KMT2AALDH1A1GPR119L3MBTL1POLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9617244-B2 Antibacterial quinoline derivatives JANSSEN PHARMACEUTICA NV (BE) 2017-04-11 US disclosed
US-9617244-B2 Antibacterial quinoline derivatives JANSSEN PHARMACEUTICA NV (BE) 2017-04-11 US disclosed
US-20150051244-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN-CILAG (FR) 2015-02-19 US disclosed
US-20150051244-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN-CILAG (FR) 2015-02-19 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 (1 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-20150051244-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES NQO2, NDUFB5, NDUFB7 MEN1 3002/4885KMT2A 4034/4885ALDH1A1 2506/4885

“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.