SCHEMBL1286533

SCHEMBL1286533

NC(=O)CC(c1cccc2c1CCO2)C1CCNC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.36
SLC9A5 Q14940 1/20 0.35
SLC9A2 Q9UBY0 1/20 0.35
MTNR1B P49286 17/20 0.34
MTNR1A P48039 16/20 0.33
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
DRD3 P35462 1/20 0.32

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
SCHEMBL1286539 0.83 SLC9A1 (0.38) SLC9A1SLC9A5SLC9A2MTNR1BMTNR1A
SCHEMBL1286554 0.72 SLC9A1 (0.36) SLC9A1SLC9A5SLC9A2MTNR1BMTNR1A
SCHEMBL6950866 0.69 SLC9A1 (0.41) SLC9A1SLC9A5SLC9A2MTNR1BMTNR1A
SCHEMBL8484812 0.69 SLC9A1 (0.42) SLC9A1SLC9A5SLC9A2MTNR1BMTNR1A
SCHEMBL1286493 0.66 MTNR1B (0.37) SLC9A1SLC9A5SLC9A2MTNR1BMTNR1A
SCHEMBL1286505 0.66 MTNR1B (0.37) SLC9A1SLC9A5SLC9A2MTNR1BMTNR1A
SCHEMBL1286496 0.66 SLC9A1 (0.38) SLC9A1SLC9A5SLC9A2MTNR1BMTNR1A
SCHEMBL6508980 0.65 KMT2A (0.48)
SCHEMBL1286528 0.65 MTNR1B (0.37) SLC9A1SLC9A5SLC9A2MTNR1BMTNR1A
SCHEMBL1286510 0.65 SLC9A1 (0.43) SLC9A1SLC9A5SLC9A2MTNR1BDRD2

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 1 patent. 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 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 SLC9A1 3825/4885SLC9A5 3498/4885SLC9A2 3591/4885

“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.