SCHEMBL694181

SCHEMBL694181

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

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 1/20 0.54
HRH2 P25021 5/20 0.50
HRH1 P35367 5/20 0.50
TSHR P16473 1/20 0.40
P2RY12 Q9H244 7/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.38
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL3328626 1.00 POLB (0.54) POLBSMN1; SMN2LMNAHRH2HRH1
Hydrochloric Acid SCHEMBL719281 0.99 POLB (0.52) POLBSMN1; SMN2LMNAHRH2HRH1
Trifluoroacetic Acid SCHEMBL315987 0.91 LMNA (0.46) POLBSMN1; SMN2LMNAHRH2HRH1
SCHEMBL523122 0.90 POLB (0.55) POLBSMN1; SMN2LMNAHRH2HRH1
SCHEMBL523121 0.90 POLB (0.55) POLBSMN1; SMN2LMNAHRH2HRH1
SCHEMBL522823 0.88 LMNA (0.54) POLBSMN1; SMN2LMNAHRH2HRH1
SCHEMBL522822 0.88 LMNA (0.54) POLBSMN1; SMN2LMNAHRH2HRH1
SCHEMBL523224 0.88 LMNA (0.54) POLBSMN1; SMN2LMNAHRH2HRH1
SCHEMBL523223 0.88 LMNA (0.54) POLBSMN1; SMN2LMNAHRH2HRH1
SCHEMBL3329393 0.87 LMNA (0.52) POLBSMN1; SMN2LMNAHRH2HRH1

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 9 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-8664203-B2 Thiazole derivatives and their use as P2Y12 receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2014-03-04 US disclosed
US-20130281406-A2 THIAZOLE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2013-10-24 US disclosed
US-20120053149-A1 THIAZOLE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2012-03-01 US disclosed
EP-2421859-A1 THIAZOLE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2012-02-29 EP disclosed
WO-2010122504-A1 THIAZOLE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-10-28 WO 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 (3 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 POLB 1874/4885SMN1; SMN2 4406/4885LMNA 977/4885
US-20120053149-A1 THIAZOLE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS P2RY12, P2RY1, P2RY2 POLB 4348/4885SMN1; SMN2 3623/4885LMNA 3423/4885
US-20130281406-A2 THIAZOLE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS P2RY12, P2RY1, P2RY2 POLB 4457/4885SMN1; SMN2 3642/4885LMNA 3566/4885

“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.