SCHEMBL4864670

SCHEMBL4864670

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

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.77
SMN1; SMN2 Q16637 2/20 0.75
KMT2A Q03164 4/20 0.74
ALDH1A1 P00352 4/20 0.72
MEN1 O00255 3/20 0.72
GAA P10253 2/20 0.72
MAPK1 P28482 2/20 0.72
MAPT P10636 1/20 0.71
HTT P42858 1/20 0.71
LMNA P02545 4/20 0.69
NPSR1 Q6W5P4 1/20 0.67
POLB P06746 1/20 0.67
KDM4E B2RXH2 2/20 0.66

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
SCHEMBL4506781 0.92 KDM4E (0.76) L3MBTL1SMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL12946592 0.92 SMN1; SMN2 (0.71) L3MBTL1SMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL3771626 0.92 KMT2A (0.80) L3MBTL1SMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL26102667 0.90 LMNA (0.69) L3MBTL1SMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL14303147 0.89 L3MBTL1 (0.67) L3MBTL1SMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL16361374 0.88 KMT2A (0.75) L3MBTL1SMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL7012242 0.87 LMNA (0.67) L3MBTL1SMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL31643319 0.87 KMT2A (0.67) L3MBTL1SMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL4222736 0.87 L3MBTL1 (0.64) L3MBTL1SMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL16864106 0.86 LMNA (0.72) L3MBTL1SMN1; SMN2KMT2AALDH1A1MEN1

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 11 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
US-7019001-B2 Substituted benzothiazole amide derivatives HOFFMAN-LA ROCHE INC. (US) 2006-03-28 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
US-20040229893-A1 Substituted benzothiazole amide derivatives FLOHR ALEXANDER (CH) 2004-11-18 US disclosed
EP-1455792-A1 UREAS OF 2-AMINOBENZOTHIAZOLES AS ADENOSINE MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2004-09-15 EP disclosed
US-6727247-B2 ADENOSINE RECEPTOR LIGANDS IN A METHOD OF TREATMENT, CONTROL, OR PREVENTION OF CENTRAL NERVOUS SYSTEM DISORDERS HOFFMAN-LA ROCHE INC. 2004-04-27 US disclosed
US-20030149036-A1 Substituted benzothiazole amide derivatives HOFFMAN-LA ROCHE INC. 2003-08-07 US disclosed
WO-2003049741-A1 UREAS OF 2-AMINOBENZOTHIAZOLES AS ADENOSINE MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-06-19 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-20030149036-A1 Substituted benzothiazole amide derivatives ADORA2A, ADORA1, ADORA2B L3MBTL1 4694/4885SMN1; SMN2 1332/4885KMT2A 2874/4885
US-20040229893-A1 Substituted benzothiazole amide derivatives ADORA2A, ADORA1, ADORA2B L3MBTL1 4694/4885SMN1; SMN2 1332/4885KMT2A 2874/4885
US-20050043535-A1 4-(Piperidyl-and pyrrolidyl-alkyl-ureido)-quinolines as urotensin II receptor antagonists UTS2R, NTSR2, PLAUR L3MBTL1 4881/4885SMN1; SMN2 2452/4885KMT2A 2523/4885

“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.