SCHEMBL1771027

SCHEMBL1771027

CC(=O)NCCN1CCc2ccc(OCCCc3ccccc3)cc21

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 8/20 0.52
MTNR1A P48039 8/20 0.52
XIAP P98170 1/20 0.46
REN P00797 2/20 0.45
CYP3A4 P08684 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
MAOB P27338 2/20 0.43
MAOA P21397 1/20 0.43
ACACB O00763 1/20 0.43

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
SCHEMBL1770990 0.97 MTNR1A (0.53) MTNR1BMTNR1AXIAPRENCYP3A4
SCHEMBL1770499 0.95 MTNR1A (0.50) MTNR1BMTNR1AXIAPRENCYP3A4
SCHEMBL1770917 0.90 XIAP (0.47) MTNR1BMTNR1AXIAPMAOBMAOA
SCHEMBL1770647 0.89 HPGD (0.46) MTNR1BMTNR1AXIAP
SCHEMBL27794657 0.88 XIAP (0.45) XIAPMAOBMAOA
SCHEMBL1770407 0.87 XIAP (0.46) MTNR1BMTNR1AXIAPCYP3A4
SCHEMBL1770507 0.87 MAOA (0.44) MTNR1BMTNR1AXIAPMAOBMAOA
SCHEMBL1770327 0.85 MTNR1A (0.47) MTNR1BMTNR1AXIAP
SCHEMBL6728768 0.83 TRPV1 (0.49) MTNR1BMTNR1ARENCYP3A4L3MBTL1
SCHEMBL27794658 0.82 XIAP (0.43) XIAPMAOBMAOA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112148-A1 INDOLINE COMPOUNDS FERRER INTERNACIONAL S.A. 2011-05-12 US claimed
CN-101878200-A Indoline compound FERRER INT 2010-11-03 CN claimed
EP-2203423-A1 INDOLINE COMPOUNDS Ferrer Internacional, S.A. (ES) 2010-07-07 EP claimed
WO-2009053440-A1 INDOLINE COMPOUNDS FERRER INTERNACIONAL S.A. (ES) 2009-04-30 WO claimed
US-20110112148-A1 INDOLINE COMPOUNDS FERRER INTERNACIONAL S.A. 2011-05-12 US disclosed
CN-101878200-A Indoline compound FERRER INT 2010-11-03 CN disclosed
EP-2203423-A1 INDOLINE COMPOUNDS Ferrer Internacional, S.A. (ES) 2010-07-07 EP disclosed
WO-2009053440-A1 INDOLINE COMPOUNDS FERRER INTERNACIONAL S.A. (ES) 2009-04-30 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 (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-20110112148-A1 INDOLINE COMPOUNDS MTNR1A, MTNR1B, TPH2 MTNR1B 2/4885MTNR1A 1/4885XIAP 1156/4885

“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.