SCHEMBL3330097

SCHEMBL3330097

CCCCOC(=O)N1CCN(C(=O)C(Cc2cn(Cc3ccccc3)nn2)NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 6/20 0.47
HRH2 P25021 3/20 0.47
HRH1 P35367 3/20 0.47
KDM1A O60341 8/20 0.46
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44
TUBA1A Q71U36 1/20 0.44
KDM1B Q8NB78 1/20 0.44
TUBA1C Q9BQE3 1/20 0.44
TUBB6 Q9BUF5 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
SCHEMBL3330092 1.00 P2RY12 (0.47) P2RY12HRH2HRH1KDM1ABCHE
SCHEMBL523558 0.86 HRH2 (0.59) P2RY12HRH2HRH1KMT2A
SCHEMBL523557 0.86 HRH2 (0.59) P2RY12HRH2HRH1KMT2A
SCHEMBL3331695 0.80 ACE (0.56)
SCHEMBL304588 0.80 ACE (0.56)
SCHEMBL3330120 0.80 P2RY12 (0.50) P2RY12HRH2HRH1BCHEACHE
SCHEMBL3330129 0.80 P2RY12 (0.50) P2RY12HRH2HRH1BCHEACHE
SCHEMBL3336111 0.79 HRH2 (0.46) P2RY12HRH2HRH1KMT2A
SCHEMBL3336118 0.79 HRH2 (0.46) P2RY12HRH2HRH1KMT2A
SCHEMBL18183914 0.79 PTPN1 (0.49)

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 2 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

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 P2RY12 1/4885HRH2 48/4885HRH1 92/4885

“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.