SCHEMBL751537

SCHEMBL751537

CCOC(=O)c1ccc(NCCOC)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.63
SCN5A Q14524 2/20 0.63
ABCB11 O95342 1/20 0.63
CYP3A4 P08684 1/20 0.63
ADRA2B P18089 1/20 0.63
OPRD1 P41143 1/20 0.63
RAB9A P51151 6/20 0.60
MAPT P10636 3/20 0.57
ALDH1A1 P00352 2/20 0.57
SMN1; SMN2 Q16637 3/20 0.56
NPC1 O15118 3/20 0.56
GAA P10253 2/20 0.56
MEN1 O00255 1/20 0.56
CASP3 P42574 1/20 0.56
KMT2A Q03164 1/20 0.56
TRPV1 Q8NER1 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
HPGD P15428 2/20 0.55
RECQL P46063 1/20 0.55
CA1 P00915 2/20 0.54

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
SCHEMBL1243676 0.89 SCN5A (0.72) PTGER4SCN5AABCB11CYP3A4ADRA2B
SCHEMBL5008297 0.87 POLB (0.68) SCN5AABCB11CYP3A4ADRA2BOPRD1
SCHEMBL13444627 0.85 LMNA (0.61) SCN5AABCB11CYP3A4ADRA2BOPRD1
SCHEMBL7101006 0.85 MAPT (0.60) SCN5AABCB11CYP3A4ADRA2BOPRD1
SCHEMBL5025348 0.83 LMNA (0.70) SCN5AABCB11CYP3A4ADRA2BOPRD1
SCHEMBL9107929 0.83 CA1 (0.59) CYP3A4RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL11378981 0.83 MAPT (0.57) CYP3A4RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL11159301 0.82 PTGER4 (0.61) PTGER4RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL3083718 0.82 HPGD (0.63) CYP3A4RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL9804183 0.82 HPGD (0.63) CYP3A4RAB9AMAPTALDH1A1SMN1; SMN2

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-8273773-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-09-25 US disclosed
EP-2307372-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2012-04-25 EP disclosed
US-8138209-B2 Substituted picolinamides as MAO-B inhibitors useful for treating obesity JENRIN DISCOVERY, INC. (US) 2012-03-20 US disclosed
EP-2307372-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2011-04-13 EP disclosed
WO-2010010017-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-28 WO disclosed
US-20100021423-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2010-01-28 US disclosed
US-20070015734-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-01-18 US 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-20070015734-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 PTGER4 3224/4885SCN5A 1881/4885ABCB11 1444/4885
US-20100021423-A1 Heterocyclic antiviral compounds POLR2A, RRM2B, RRP1B PTGER4 3614/4885SCN5A 3339/4885ABCB11 1852/4885

“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.