SCHEMBL4861073

SCHEMBL4861073

CCOC(=O)C1(Cc2ccccc2)CCN(CCNC(=O)OCc2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.58
HTT P42858 1/20 0.57
ALDH1A1 P00352 5/20 0.56
LMNA P02545 3/20 0.55
KMT2A Q03164 5/20 0.55
MEN1 O00255 4/20 0.55
KDM4E B2RXH2 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.54
GAA P10253 1/20 0.54
MAPK1 P28482 1/20 0.54
MAPT P10636 1/20 0.53

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
SCHEMBL27594093 0.88 LMNA (0.51) SMN1; SMN2HTTLMNAKMT2AMEN1
SCHEMBL6827639 0.87 KCNA3 (0.50) SMN1; SMN2HTTLMNAL3MBTL1MAPT
SCHEMBL12946592 0.83 SMN1; SMN2 (0.71) SMN1; SMN2HTTALDH1A1LMNAKMT2A
SCHEMBL4860114 0.82 SMN1; SMN2 (0.64) SMN1; SMN2HTTALDH1A1LMNAKMT2A
SCHEMBL7159219 0.81 LMNA (0.63) SMN1; SMN2HTTALDH1A1LMNAKMT2A
SCHEMBL4864670 0.81 L3MBTL1 (0.77) SMN1; SMN2HTTALDH1A1LMNAKMT2A
SCHEMBL16864106 0.80 LMNA (0.72) SMN1; SMN2HTTALDH1A1LMNAKMT2A
SCHEMBL16056413 0.80 LMNA (0.61) SMN1; SMN2HTTALDH1A1LMNAKMT2A
SCHEMBL6829347 0.80 LMNA (0.52) SMN1; SMN2HTTLMNAKMT2AMEN1
SCHEMBL7841236 0.79 MEN1 (0.53) ALDH1A1LMNAKMT2AMEN1KDM4E

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
US-7375227-B2 Quinoline derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-05-20 US disclosed
US-7375227-B2 Quinoline derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-05-20 US disclosed
US-7375227-B2 Quinoline derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-05-20 US disclosed
EP-1499607-B1 4-(PIPERIDYL- AND PYRROLIDYL-ALKYL-UREIDO)-QUINOLINES AS UROTENSIN II RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2005-12-07 EP disclosed
US-20050043535-A1 4-(Piperidyl-and pyrrolidyl-alkyl-ureido)-quinolines as urotensin II receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2005-02-24 US disclosed
EP-1499607-A1 4-(PIPERIDYL- AND PYRROLIDYL-ALKYL-UREIDO)-QUINOLINES AS UROTENSIN II RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2005-01-26 EP disclosed
WO-2003048154-A1 4-(PIPERIDYL- AND PYRROLIDYL-ALKYL-UREIDO) -QUINOLINES AS UROTENSIN II RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2003-06-12 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-20050043535-A1 4-(Piperidyl-and pyrrolidyl-alkyl-ureido)-quinolines as urotensin II receptor antagonists UTS2R, NTSR2, PLAUR SMN1; SMN2 2452/4885HTT 681/4885ALDH1A1 2993/4885

“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.