SCHEMBL3333381

SCHEMBL3333381

CCCCOC(=O)N1CC(NC(=O)OCc2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
GAA P10253 1/20 0.51
HSD11B1 P28845 1/20 0.51
TSHR P16473 2/20 0.50
CTSK P43235 2/20 0.50
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
DPP4 P27487 5/20 0.47
DPP7 Q9UHL4 5/20 0.47
EPHX1 P07099 1/20 0.46
CHRM4 P08173 1/20 0.46
KCNH2 Q12809 3/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL951786 0.91 HSD11B1 (0.63) ALDH1A1GAAHSD11B1TSHRCTSK
SCHEMBL29727241 0.89 KMT2A (0.60) ALDH1A1GAAHSD11B1TSHRCTSK
SCHEMBL951534 0.87 HSD11B1 (0.60) ALDH1A1GAAHSD11B1TSHRCTSK
SCHEMBL30135990 0.86 CTSL (0.49) ALDH1A1GAAHSD11B1TSHRCTSK
SCHEMBL19212197 0.86 DPP4 (0.48) ALDH1A1GAAHSD11B1TSHRCTSK
SCHEMBL2734467 0.85 HSD11B1 (0.53) ALDH1A1GAAHSD11B1TSHRCTSK
SCHEMBL954965 0.84 KMT2A (0.60) ALDH1A1GAAHSD11B1TSHRCTSK
SCHEMBL30135994 0.82 MEN1 (0.52) ALDH1A1GAAHSD11B1TSHRCTSK
SCHEMBL30060706 0.81 LMNA (0.51) ALDH1A1GAATSHRCTSLCYP3A4
SCHEMBL17082722 0.81 ALDH1A1 (0.59) ALDH1A1GAAHSD11B1TSHRCTSK

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-8669266-B2 Quinoline-carboxamide derivatives as P2Y12 antagonists SANOFI (FR) 2014-03-11 US disclosed
US-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2010-06-03 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-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS P2RY12, P2RY1, P2RY2 ALDH1A1 2297/4885GAA 1331/4885HSD11B1 4736/4885

“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.