SCHEMBL19699402

SCHEMBL19699402

ON=C[C@@H]1CC1c1cccc2c1CCO2

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 7/20 0.52
MTNR1B P49286 1/20 0.48
SLC9A5 Q14940 1/20 0.42
SLC9A2 Q9UBY0 1/20 0.42
DRD2 P14416 11/20 0.35
HTR2A P28223 11/20 0.35
DRD3 P35462 11/20 0.35
KIF11 P52732 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
SCHEMBL17894548 1.00 SLC9A1 (0.52) SLC9A1MTNR1BSLC9A5SLC9A2DRD2
SCHEMBL17899786 1.00 SLC9A1 (0.52) SLC9A1MTNR1BSLC9A5SLC9A2DRD2
SCHEMBL17894547 1.00 SLC9A1 (0.52) SLC9A1MTNR1BSLC9A5SLC9A2DRD2
SCHEMBL6679812 0.82 KDM4E (0.38) SLC9A1DRD2
SCHEMBL6679801 0.82 KDM4E (0.38) SLC9A1DRD2
SCHEMBL6679807 0.82 KDM4E (0.38) SLC9A1DRD2
SCHEMBL6682308 0.81 SLC9A1 (0.52) SLC9A1MTNR1BSLC9A5SLC9A2DRD2
SCHEMBL6678123 0.81 SLC9A1 (0.52) SLC9A1MTNR1BSLC9A5SLC9A2DRD2
SCHEMBL19699401 0.81 SLC9A1 (0.52) SLC9A1MTNR1BSLC9A5SLC9A2DRD2
SCHEMBL19699403 0.75 MTNR1B (0.64) SLC9A1MTNR1BSLC9A5SLC9A2DRD2

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-9944616-B2 Processes for the preparation of Tasimelteon and intermediates thereof APOTEX INC. (CA) 2018-04-17 US disclosed
US-20170355688-A1 Processes for the Preparation of Tasimelteon and Intermediates Thereof THE BANK OF NOVA SCOTIA (CA) 2017-12-14 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-20170355688-A1 Processes for the Preparation of Tasimelteon and Intermediates Thereof TRMT1, SULT1A1, TMT1A SLC9A1 2520/4885MTNR1B 1442/4885SLC9A5 3088/4885

“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.