SCHEMBL31370601

SCHEMBL31370601

COc1cc2c(Br)cn(C(=O)OC(C)(C)C)c2cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
HTR6 P50406 1/20 0.39
PDE4B Q07343 4/20 0.37
PDE4A P27815 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
TNF P01375 1/20 0.36
EHMT2 Q96KQ7 1/20 0.35
CTSL P07711 1/20 0.34
NSD2 O96028 1/20 0.34
PDE10A Q9Y233 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PIM1 P11309 1/20 0.34
MARK3 P27448 1/20 0.34

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
SCHEMBL3109280 1.00 MTNR1A (0.41) MTNR1AMTNR1BL3MBTL1HTR6PDE4B
SCHEMBL3101171 0.86 TLR9 (0.49) L3MBTL1CTSLALDH1A1TLR9
SCHEMBL29122828 0.84 L3MBTL1 (0.41) MTNR1AMTNR1BL3MBTL1HTR6PDE4B
SCHEMBL1748650 0.82 L3MBTL1 (0.39) MTNR1AMTNR1BL3MBTL1HTR6PDE4B
SCHEMBL17429443 0.82 LCK (0.39) L3MBTL1HTR6PDE4BPDE4APDE4C
SCHEMBL25357981 0.82 L3MBTL1 (0.41) L3MBTL1HTR6MEN1KMT2APIM1
SCHEMBL29364313 0.82 L3MBTL1 (0.41) L3MBTL1HTR6MEN1KMT2APIM1
SCHEMBL29992688 0.81 AKR1C3 (0.47) MTNR1AMTNR1BL3MBTL1HTR6MEN1
SCHEMBL31370660 0.81 HTR6 (0.40) MTNR1AMTNR1BL3MBTL1HTR6PDE10A
SCHEMBL1357445 0.81 AKR1C3 (0.47) MTNR1AMTNR1BL3MBTL1HTR6MEN1

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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 MTNR1A 3497/4885MTNR1B 3294/4885L3MBTL1 1869/4885

“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.