SCHEMBL3328327

SCHEMBL3328327

O=C(NC1CCCC1)[C@@H]1CCCN1OC(=O)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPK1 P28482 2/20 0.42
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 5/20 0.38
POLB P06746 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.38
EPHX2 P34913 2/20 0.37
TSHR P16473 2/20 0.37
HSD11B1 P28845 1/20 0.35
RAB9A P51151 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL3330621 0.97 KDM4E (0.44) KDM4ESMN1; SMN2MAPK1KMT2AALDH1A1
SCHEMBL3332688 0.96 KDM4E (0.46) KDM4ESMN1; SMN2MAPK1KMT2AALDH1A1
SCHEMBL3275668 0.82 PDK2 (0.36) ALDH1A1LMNAHSD11B1HTT
SCHEMBL5413986 0.79 PREP (0.35) ALDH1A1TSHR
SCHEMBL3332146 0.79 TSHR (0.36) KDM4ESMN1; SMN2MAPK1KMT2AALDH1A1
SCHEMBL28178861 0.77 DPP4 (0.33)
SCHEMBL5403207 0.77 PEPD (0.31) ALDH1A1
SCHEMBL1437590 0.77 EPHX2 (0.49) MAPK1ALDH1A1L3MBTL1LMNAEPHX2
SCHEMBL6337635 0.75 TSHR (0.49) KMT2AALDH1A1POLBEPHX2TSHR
SCHEMBL7039252 0.75 NPSR1 (0.49) SMN1; SMN2KMT2APOLBL3MBTL1LMNA

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 KDM4E 1525/4885SMN1; SMN2 4406/4885MAPK1 1885/4885

“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.