SCHEMBL3328351

SCHEMBL3328351

CC(C)(C)OC(=O)N1CCN(C(=O)OC2CCC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.54
EPHX1 P07099 1/20 0.51
USP2 O75604 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TPSAB1 Q15661 9/20 0.48
TPSD1 Q9BZJ3 9/20 0.48
TPSG1 Q9NRR2 9/20 0.48
RECQL P46063 1/20 0.48
EPHX2 P34913 1/20 0.46
F2 P00734 1/20 0.45
PRSS1 P07477 1/20 0.45
ALDH1A1 P00352 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
SCHEMBL7421428 1.00 HPGD (0.54) HPGDEPHX1USP2SMN1; SMN2TPSAB1
SCHEMBL22354690 0.95 EPHX1 (0.57) HPGDEPHX1USP2SMN1; SMN2TPSAB1
SCHEMBL7530498 0.94 HPGD (0.49) HPGDEPHX1USP2SMN1; SMN2TPSAB1
SCHEMBL7530505 0.94 HPGD (0.49) HPGDEPHX1USP2SMN1; SMN2TPSAB1
SCHEMBL27253412 0.83 HPGD (0.44) HPGDEPHX1USP2SMN1; SMN2RECQL
SCHEMBL21456062 0.83 HPGD (0.58) HPGDEPHX1USP2SMN1; SMN2RECQL
SCHEMBL15559576 0.82 HRH3 (0.57)
SCHEMBL2217468 0.81 HPGD (0.53) HPGDEPHX1USP2SMN1; SMN2RECQL
SCHEMBL18294 0.81 USP2 (0.69) HPGDEPHX1USP2SMN1; SMN2RECQL
SCHEMBL698803 0.81 USP2 (0.69) HPGDEPHX1USP2SMN1; SMN2RECQL

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 HPGD 1458/4885EPHX1 428/4885USP2 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.