SCHEMBL23957942

SCHEMBL23957942

CCC(=O)NC[C@@H]1C[C@H]1c1cccc2c1C(O)CO2

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MTNR1B P49286 20/20 0.65
▸ MTNR1A P48039 19/20 0.53

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
SCHEMBL16134540 1.00 MTNR1B (0.65) MTNR1BMTNR1A
SCHEMBL15142208 1.00 MTNR1B (0.65) MTNR1BMTNR1A
Tasimelteon SCHEMBL3505912 0.79 MTNR1B (1.00) MTNR1BMTNR1A
Tasimelteon SCHEMBL3505909 0.79 MTNR1B (1.00) MTNR1BMTNR1A
Tasimelteon SCHEMBL15805116 0.79 MTNR1B (1.00) MTNR1BMTNR1A
Tasimelteon SCHEMBL23499868 0.79 MTNR1B (1.00) MTNR1BMTNR1A
Tasimelteon SCHEMBL17269306 0.79 MTNR1B (1.00) MTNR1BMTNR1A
SCHEMBL6678547 0.79 MTNR1B (0.67) MTNR1BMTNR1A
SCHEMBL6678551 0.79 MTNR1B (0.67) MTNR1BMTNR1A
SCHEMBL6677292 0.79 MTNR1B (0.74) MTNR1BMTNR1A

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-20210330634-A1 TREATMENT OF CIRCADIAN RHYTHM DISORDERS VANDA PHARMACEUTICALS INC. 2021-10-28 — — 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-20210330634-A1 TREATMENT OF CIRCADIAN RHYTHM DISORDERS CRY1, PER2, CRY2 MTNR1B 5/4885MTNR1A 4/4885

“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.

Send feedback