SCHEMBL3336035

SCHEMBL3336035

CC(C)(C)OC(=O)N1CCN(C(=O)OCC2CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.50
HPGD P15428 1/20 0.49
USP2 O75604 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
RECQL P46063 1/20 0.47
EPHX1 P07099 1/20 0.47
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 1/20 0.45
GPR119 Q8TDV5 5/20 0.44
EPHX2 P34913 1/20 0.44
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL6155301 0.90 HPGD (0.47) HPGDUSP2SMN1; SMN2RECQLEPHX1
SCHEMBL5190669 0.85 HPGD (0.51) NR1H2HPGDUSP2SMN1; SMN2RECQL
SCHEMBL31690406 0.85 HPGD (0.46) NR1H2HPGDUSP2SMN1; SMN2RECQL
SCHEMBL5190671 0.84 KDM4E (0.52) NR1H2HPGDUSP2SMN1; SMN2RECQL
SCHEMBL27417726 0.84 HPGD (0.50) NR1H2HPGDUSP2SMN1; SMN2RECQL
SCHEMBL796239 0.83 HPGD (0.53) NR1H2HPGDUSP2SMN1; SMN2RECQL
SCHEMBL20656863 0.83 HPGD (0.49) NR1H2HPGDUSP2SMN1; SMN2RECQL
SCHEMBL4105386 0.83 HPGD (0.49) HPGDUSP2SMN1; SMN2RECQLEPHX1
SCHEMBL25307040 0.81 HPGD (0.51) HPGDUSP2SMN1; SMN2RECQLEPHX1
SCHEMBL27940027 0.81 HPGD (0.48) HPGDUSP2SMN1; SMN2RECQLEPHX1

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-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
EP-2148871-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-02-03 EP disclosed
WO-2008128647-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2008-10-30 WO 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 NR1H2 1249/4885HPGD 1458/4885USP2 4107/4885

“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.