SCHEMBL3334291

SCHEMBL3334291

CCOC(=O)N1CCN(C(=O)CNC)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
POLB P06746 3/20 0.62
HTT P42858 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
KDM4E B2RXH2 2/20 0.56
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TSHR P16473 2/20 0.50
P2RY12 Q9H244 2/20 0.50
RECQL P46063 1/20 0.50
ABL1 P00519 1/20 0.50
MAPT P10636 1/20 0.50
RIN1 Q13671 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP2D6 P10635 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL3331196 0.85 SMN1; SMN2 (0.56) ALDH1A1POLBHTTSMN1; SMN2KDM4E
SCHEMBL1684895 0.82
SCHEMBL10985089 0.82 ALDH1A1 (0.72) ALDH1A1POLBHTTSMN1; SMN2KDM4E
SCHEMBL5398994 0.81 ALDH1A1 (0.57) ALDH1A1POLBHTTSMN1; SMN2KDM4E
SCHEMBL12847186 0.80 ALDH1A1 (0.71) ALDH1A1POLBHTTSMN1; SMN2KDM4E
SCHEMBL14902195 0.79 ALDH1A1 (0.65) ALDH1A1POLBHTTSMN1; SMN2KDM4E
SCHEMBL13383568 0.79 F2 (0.40) ALDH1A1POLBHTTSMN1; SMN2KDM4E
SCHEMBL7139017 0.78 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL16152216 0.78 ALDH1A1 (0.62) ALDH1A1POLBHTTSMN1; SMN2KDM4E
SCHEMBL5543470 0.77 ALDH1A1 (0.67) ALDH1A1POLBHTTSMN1; SMN2KDM4E

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 ALDH1A1 2297/4885POLB 1874/4885HTT 3554/4885

“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.