SCHEMBL953281

SCHEMBL953281

CCOC(=O)N1CCN(C(=O)C(N)(N)CCC(=O)OC(C)(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ GAA P10253 4/20 0.39
▸ RECQL P46063 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ MAPT P10636 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ABL1 P00519 1/20 0.37
▸ RIN1 Q13671 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL952887 0.86 ALDH1A1 (0.46) ALDH1A1KDM4ESMN1; SMN2POLBHTT
SCHEMBL4217485 0.77 ALDH1A1 (0.45) ALDH1A1KDM4ESMN1; SMN2POLBHTT
SCHEMBL1189317 0.76 ALDH1A1 (0.56) ALDH1A1KDM4ESMN1; SMN2POLBHTT
SCHEMBL317074 0.75 DPP4 (0.44) ALDH1A1KDM4ESMN1; SMN2POLBHTT
SCHEMBL317073 0.75 DPP4 (0.44) ALDH1A1KDM4ESMN1; SMN2POLBHTT
SCHEMBL1143508 0.73 TSHR (0.40) ALDH1A1KDM4ESMN1; SMN2POLBHTT
SCHEMBL1143510 0.73 TSHR (0.40) ALDH1A1KDM4ESMN1; SMN2POLBHTT
SCHEMBL12156720 0.72 ALDH1A1 (0.56) ALDH1A1KDM4ESMN1; SMN2POLBHTT
SCHEMBL952606 0.71 TSHR (0.44) ALDH1A1KDM4ESMN1; SMN2POLBHTT
SCHEMBL952605 0.71 TSHR (0.44) ALDH1A1KDM4ESMN1; SMN2POLBHTT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426420-B2 Heterocyclic pyrazole-carboxamidesas P2Y12 antagonists SANOFI (FR) 2013-04-23 — — US disclosed
EP-2238128-B1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS SANOFI SA (FR) 2012-08-22 — — EP disclosed
US-20110021537-A1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDESAS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2011-01-27 — — US disclosed
EP-2238128-A2 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-10-13 — — EP disclosed
WO-2009080226-A2 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS SANOFIS-AVENTIS (FR) 2009-07-02 — — 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-20110021537-A1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDESAS P2Y12 ANTAGONISTS P2RY1, P2RY12, P2RY11 ALDH1A1 1179/4885KDM4E 2827/4885SMN1; SMN2 4214/4885

“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.

Send feedback