SCHEMBL23580474

SCHEMBL23580474

CC(COc1cc(Br)cnc1Cl)NC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.37
MTNR1B P49286 3/20 0.37
ACACB O00763 3/20 0.36
AAK1 Q2M2I8 2/20 0.35
LMNA P02545 1/20 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
SCHEMBL23580473 1.00 MTNR1A (0.37) MTNR1AMTNR1BACACBAAK1LMNA
SCHEMBL29882519 0.84 AAK1 (0.51) AAK1
SCHEMBL28850131 0.84 AAK1 (0.51) AAK1
SCHEMBL23609241 0.84 AAK1 (0.51) AAK1
SCHEMBL25253603 0.78 SCN9A (0.40) MTNR1AMTNR1BACACBAAK1LMNA
SCHEMBL27020347 0.78 ALDH1A1 (0.38)
SCHEMBL28850146 0.76 LMNA (0.36) LMNA
SCHEMBL28850148 0.76 LMNA (0.36) LMNA
SCHEMBL28850129 0.74 AAK1 (0.39) AAK1
SCHEMBL9112487 0.74 MTNR1A (0.43) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018157-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. 2024-01-18 US disclosed
WO-2021134004-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRODINGER, INC. (US) 2021-07-01 WO 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-20240018157-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME MALT1, FKBP1B, FKBP1A MTNR1A 3493/4885MTNR1B 3105/4885ACACB 3821/4885

“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.