SCHEMBL955550

SCHEMBL955550

Cc1c[nH]c(C2CCCN2C(=O)OCc2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 2/20 0.50
TMEM97 Q5BJF2 3/20 0.48
SIGMAR1 Q99720 3/20 0.48
PREP P48147 3/20 0.48
ACE2 Q9BYF1 1/20 0.47
GFER P55789 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 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
SCHEMBL955548 1.00 AADAT (0.50) AADATTMEM97SIGMAR1PREPACE2
SCHEMBL12565619 0.87 AADAT (0.48) AADATTMEM97SIGMAR1PREPACE2
SCHEMBL12600595 0.83 TMEM97 (0.48) AADATTMEM97SIGMAR1PREP
SCHEMBL1061828 0.83 TMEM97 (0.48) AADATTMEM97SIGMAR1PREP
SCHEMBL13132670 0.82 AADAT (0.44) AADATTMEM97SIGMAR1PREPACE2
SCHEMBL889389 0.82 AADAT (0.44) AADATTMEM97SIGMAR1PREPACE2
SCHEMBL755564 0.82 AADAT (0.44) AADATTMEM97SIGMAR1PREPACE2
SCHEMBL13374857 0.81 TMEM97 (0.49) AADATTMEM97SIGMAR1PREPACE2
SCHEMBL10118255 0.80 AADAT (0.41) AADATTMEM97SIGMAR1PREPNPSR1
SCHEMBL13505827 0.79 RIPK1 (0.37) MEN1KMT2A

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 3 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

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 AADAT 1577/4885TMEM97 326/4885SIGMAR1 891/4885

“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.