SCHEMBL22014869

SCHEMBL22014869

CC(C)c1cc(C(F)F)nc(C(C)C)c1CC(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.33
MTNR1B P49286 4/20 0.33
AAK1 Q2M2I8 1/20 0.33
HDAC6 Q9UBN7 1/20 0.31
BACE1 P56817 1/20 0.30

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
SCHEMBL21962072 0.81 THRB (0.33)
SCHEMBL20698993 0.81 MTNR1A (0.36) MTNR1AMTNR1B
SCHEMBL25067026 0.79 ALDH1A1 (0.38) MTNR1AMTNR1BAAK1
SCHEMBL23692311 0.79 MTNR1A (0.33) MTNR1AMTNR1B
SCHEMBL20681241 0.79 MTNR1A (0.37) MTNR1AMTNR1BHDAC6
SCHEMBL19475243 0.76 MTNR1A (0.42) MTNR1AMTNR1B
SCHEMBL20698724 0.73 MTNR1A (0.32) MTNR1AMTNR1BAAK1
SCHEMBL19508129 0.73 PSEN1 (0.39) MTNR1AMTNR1B
SCHEMBL19507082 0.73 GABRA1 (0.46) MTNR1AMTNR1B
SCHEMBL20681199 0.73 GABRA1 (0.46) MTNR1AMTNR1BAAK1

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-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-23 US disclosed
WO-2020102574-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 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-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 MTNR1A 1531/4885MTNR1B 1933/4885AAK1 910/4885

“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.