SCHEMBL9971223

SCHEMBL9971223

CCOC1(OCC)CCCCC1CC=O

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
OPRM1 P35372 2/20 0.35

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
SCHEMBL13349588 0.81 SLC6A4 (0.38) SLC6A2SLC6A4OPRM1
SCHEMBL9733087 0.78 SLC6A4 (0.36) SLC6A2SLC6A4OPRM1
SCHEMBL3581871 0.77 SLC6A4 (0.36) SLC6A2SLC6A4OPRM1
SCHEMBL9968594 0.75 KMT2A (0.38) SLC6A2SLC6A4OPRM1
SCHEMBL29169853 0.73 GAA (0.33)
SCHEMBL13652264 0.71 SLC6A2 (0.33) SLC6A2SLC6A4OPRM1
SCHEMBL11509005 0.71 SLC6A4 (0.33) SLC6A2SLC6A4OPRM1
SCHEMBL13652326 0.69 GAA (0.33)
SCHEMBL8402329 0.68 SLC6A2 (0.31) SLC6A2SLC6A4OPRM1
SCHEMBL28326540 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8203004-B2 Tetrahydroindole derivatives for treatment of alzheimer's disease MERCK, SHARP & DOHME LIMITED (GB) 2012-06-19 US disclosed
US-20100016308-A1 Tetrahydroindole Derivatives for Treatment of Alzheimer's Disease MERCK SHARP & DOHME LIMITED (GB) 2010-01-21 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-20100016308-A1 Tetrahydroindole Derivatives for Treatment of Alzheimer's Disease BACE1, BACE2, PSEN2 SLC6A2 557/4885SLC6A4 603/4885OPRM1 1756/4885

“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.