SCHEMBL3331709

SCHEMBL3331709

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

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
P2RY12 Q9H244 15/20 0.42
HRH2 P25021 4/20 0.40
HRH1 P35367 4/20 0.40

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
SCHEMBL3331715 1.00 LMNA (0.50) LMNAPOLBSMN1; SMN2P2RY12HRH2
SCHEMBL522822 0.90 LMNA (0.54) LMNAPOLBSMN1; SMN2P2RY12HRH2
SCHEMBL523223 0.90 LMNA (0.54) LMNAPOLBSMN1; SMN2P2RY12HRH2
SCHEMBL523224 0.90 LMNA (0.54) LMNAPOLBSMN1; SMN2P2RY12HRH2
SCHEMBL522823 0.90 LMNA (0.54) LMNAPOLBSMN1; SMN2P2RY12HRH2
SCHEMBL3329398 0.89 LMNA (0.52) LMNAPOLBSMN1; SMN2P2RY12HRH2
SCHEMBL3329393 0.89 LMNA (0.52) LMNAPOLBSMN1; SMN2P2RY12HRH2
SCHEMBL523122 0.86 POLB (0.55) LMNAPOLBSMN1; SMN2P2RY12HRH2
SCHEMBL523121 0.86 POLB (0.55) LMNAPOLBSMN1; SMN2P2RY12HRH2
SCHEMBL9281301 0.85 DPP7 (0.49) LMNAPOLBSMN1; SMN2P2RY12HRH2

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 LMNA 977/4885POLB 1874/4885SMN1; SMN2 4406/4885

“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.