SCHEMBL523121

SCHEMBL523121

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

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
LMNA P02545 1/20 0.55
HRH2 P25021 7/20 0.45
HRH1 P35367 7/20 0.45
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.40
P2RY12 Q9H244 5/20 0.40
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.39
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL523122 1.00 POLB (0.55) POLBSMN1; SMN2LMNAHRH2HRH1
SCHEMBL522823 0.90 LMNA (0.54) POLBSMN1; SMN2LMNAHRH2HRH1
SCHEMBL3328626 0.90 POLB (0.54) POLBSMN1; SMN2LMNAHRH2HRH1
SCHEMBL523223 0.90 LMNA (0.54) POLBSMN1; SMN2LMNAHRH2HRH1
SCHEMBL523224 0.90 LMNA (0.54) POLBSMN1; SMN2LMNAHRH2HRH1
SCHEMBL522822 0.90 LMNA (0.54) POLBSMN1; SMN2LMNAHRH2HRH1
SCHEMBL694181 0.90 POLB (0.54) POLBSMN1; SMN2LMNAHRH2HRH1
Hydrochloric Acid SCHEMBL719281 0.88 POLB (0.52) POLBSMN1; SMN2LMNAHRH2HRH1
SCHEMBL3329393 0.88 LMNA (0.52) POLBSMN1; SMN2LMNAHRH2HRH1
SCHEMBL3329398 0.88 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2417128-B1 6-(3-AZA-BICYCLO[3.1.0]HEX-3-YL)-2-PHENYL-PYRIMIDINES AS ADP RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2016-03-02 EP disclosed
US-8669266-B2 Quinoline-carboxamide derivatives as P2Y12 antagonists SANOFI (FR) 2014-03-11 US disclosed
US-8288385-B2 6-(3-aza-bicyclo[3.1.0]hex-3-yl)-2-phenyl-pyrimidines ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-16 US disclosed
US-20120028989-A1 6-(3-AZA-BICYCLO[3.1.0]HEX-3-YL)-2-PHENYL-PYRIMIDINES VIATRIS ASIA PACIFIC PTE. LTD. (SG) 2012-02-02 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 (2 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-20120028989-A1 6-(3-AZA-BICYCLO[3.1.0]HEX-3-YL)-2-PHENYL-PYRIMIDINES P2RY12, P2RY13, P2RY6 POLB 3364/4885SMN1; SMN2 3419/4885LMNA 3717/4885

“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.