SCHEMBL1285249

SCHEMBL1285249

CCC(C)C(=O)N[C@H]1CCN(c2ccc(F)c3c2CC(C)O3)C1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 19/20 0.46
MTNR1B P49286 19/20 0.46
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL1285121 0.90 MTNR1A (0.56) MTNR1AMTNR1B
SCHEMBL1285591 0.89 MTNR1A (0.48) MTNR1AMTNR1B
SCHEMBL1285845 0.86 MTNR1A (0.56) MTNR1AMTNR1B
SCHEMBL3428772 0.85 MTNR1A (0.43) MTNR1AMTNR1B
SCHEMBL1285176 0.85 MTNR1A (0.53) MTNR1AMTNR1B
SCHEMBL1284713 0.85 MTNR1A (0.57) MTNR1AMTNR1B
SCHEMBL1285841 0.85 MTNR1A (0.57) MTNR1AMTNR1B
SCHEMBL1285050 0.84 MTNR1A (0.54) MTNR1AMTNR1B
SCHEMBL1696512 0.84 MTNR1A (0.42) MTNR1AMTNR1B
SCHEMBL1696511 0.83 MTNR1A (0.42) MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088809-A1 1-(2-ALKYL-2,3-DIHYDRO-BENZOFURAN-4-YL)-PYRROLIDIN-3-YLAMINE ACYL COMPOUNDS FERRER INTERNACIONAL, S.A. (ES) 2012-04-12 US claimed
EP-2266975-A1 1-(2-alkyl-2,3-dihydro-benzofuran-4-yl)-pyrrolidin-3-ylamine acyl compounds Ferrer Internacional, S.A. (ES) 2010-12-29 EP claimed
US-20120088809-A1 1-(2-ALKYL-2,3-DIHYDRO-BENZOFURAN-4-YL)-PYRROLIDIN-3-YLAMINE ACYL COMPOUNDS FERRER INTERNACIONAL, S.A. (ES) 2012-04-12 US disclosed
EP-2266975-A1 1-(2-alkyl-2,3-dihydro-benzofuran-4-yl)-pyrrolidin-3-ylamine acyl compounds Ferrer Internacional, S.A. (ES) 2010-12-29 EP 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-20120088809-A1 1-(2-ALKYL-2,3-DIHYDRO-BENZOFURAN-4-YL)-PYRROLIDIN-3-YLAMINE ACYL COMPOUNDS MTNR1A, MTNR1B, TPH2 MTNR1A 1/4885MTNR1B 2/4885DRD2 174/4885

“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.