SCHEMBL954599

SCHEMBL954599

CCOC(=O)N1CCN(C(=O)[C@@H](N)CCCCOCc2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
ALDH1A1 P00352 3/20 0.52
CYP1A2 P05177 1/20 0.52
POLB P06746 1/20 0.52
CYP2C9 P11712 1/20 0.52
GAA P10253 3/20 0.51
DPP7 Q9UHL4 3/20 0.48
DPP8 Q6V1X1 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
DPP4 P27487 1/20 0.48
DPP9 Q86TI2 1/20 0.48
CYP2C19 P33261 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
TEAD3 Q99594 1/20 0.44

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
SCHEMBL954600 1.00 TSHR (0.52) TSHRALDH1A1CYP1A2POLBCYP2C9
SCHEMBL951463 0.93 DPP7 (0.46) TSHRALDH1A1CYP1A2POLBCYP2C9
SCHEMBL951464 0.93 DPP7 (0.46) TSHRALDH1A1CYP1A2POLBCYP2C9
SCHEMBL3332323 0.92 TSHR (0.55) TSHRALDH1A1CYP1A2POLBCYP2C9
SCHEMBL3332321 0.92 TSHR (0.55) TSHRALDH1A1CYP1A2POLBCYP2C9
Trifluoroacetic Acid SCHEMBL955821 0.86 ALDH1A1 (0.49) TSHRALDH1A1CYP1A2POLBCYP2C9
SCHEMBL3332041 0.86 P2RY12 (0.46) TSHRALDH1A1CYP1A2POLBCYP2C9
SCHEMBL3332045 0.86 P2RY12 (0.46) TSHRALDH1A1CYP1A2POLBCYP2C9
SCHEMBL2545138 0.85 TSHR (0.57) TSHRALDH1A1CYP1A2POLBCYP2C9
SCHEMBL950858 0.84 PRSS1 (0.52) DPP7DPP8DPP4DPP9TEAD3

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 TSHR 1012/4885ALDH1A1 1179/4885CYP1A2 1247/4885

“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.