SCHEMBL3331895

SCHEMBL3331895

CCCCOC(=O)N1CCN(C(=O)C(N)C2CCOCC2)CC1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.59
▸ POLB P06746 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ RECQL P46063 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ P2RY12 Q9H244 11/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ HRH2 P25021 1/20 0.36
▸ HRH1 P35367 1/20 0.36
▸ DPP4 P27487 1/20 0.36
▸ DPP7 Q9UHL4 1/20 0.36
▸ GAA P10253 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
SCHEMBL3331597 0.93 LMNA (0.53) LMNAPOLBSMN1; SMN2RECQLTSHR
SCHEMBL523937 0.91 LMNA (0.51) LMNAPOLBSMN1; SMN2TSHRP2RY12
SCHEMBL523936 0.91 LMNA (0.51) LMNAPOLBSMN1; SMN2TSHRP2RY12
SCHEMBL14204889 0.79 DPP4 (0.57) LMNAPOLBSMN1; SMN2DPP4DPP7
SCHEMBL523718 0.77 POLB (0.56) LMNAPOLBSMN1; SMN2TSHRP2RY12
SCHEMBL523719 0.77 POLB (0.56) LMNAPOLBSMN1; SMN2TSHRP2RY12
SCHEMBL533646 0.77 POLB (0.97) LMNAPOLBSMN1; SMN2RECQLTSHR
SCHEMBL523122 0.76 POLB (0.55) LMNAPOLBSMN1; SMN2TSHRP2RY12
SCHEMBL523121 0.76 POLB (0.55) LMNAPOLBSMN1; SMN2TSHRP2RY12
SCHEMBL522877 0.76 LMNA (0.49) LMNAPOLBSMN1; SMN2TSHRP2RY12

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.

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