SCHEMBL25565262

SCHEMBL25565262

COc1ccc2[nH]cc(NC(=O)C3(CO)CCC3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.53
MTNR1B P49286 9/20 0.53
NR4A2 P43354 1/20 0.48
LMNA P02545 2/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 2/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 2/20 0.46
MITF O75030 1/20 0.46
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP2D6 P10635 2/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP1A1 P04798 1/20 0.45
MPO P05164 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
HTR1A P08908 1/20 0.45
HPGD P15428 1/20 0.45
NQO2 P16083 1/20 0.45

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
SCHEMBL25026083 0.85 NR4A2 (0.53) MTNR1AMTNR1BNR4A2LMNAKDM4E
SCHEMBL25025898 0.80 NR4A2 (0.48) MTNR1AMTNR1BNR4A2LMNAKDM4E
SCHEMBL25212609 0.77 TRPV1 (0.39) MTNR1AMTNR1BTRPV1FAAH
SCHEMBL25025699 0.77 TRPV1 (0.39) MTNR1AMTNR1BTRPV1FAAH
SCHEMBL6100002 0.77 NR4A2 (0.61) MTNR1AMTNR1BNR4A2LMNAKDM4E
SCHEMBL28680395 0.75 MTNR1A (0.56) MTNR1AMTNR1BNR4A2LMNAKDM4E
SCHEMBL25557628 0.75 TRPV1 (0.34) MTNR1AMTNR1BALDH1A1TRPV1FAAH
SCHEMBL25564619 0.73 MTNR1A (0.51) MTNR1AMTNR1BNR4A2LMNAKDM4E
SCHEMBL25025846 0.73 MTNR1A (0.42) MTNR1AMTNR1BNR4A2KDM4EALDH1A1
SCHEMBL25559500 0.72 NR4A2 (0.54) MTNR1AMTNR1BNR4A2LMNAKDM4E

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-20230167057-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-06-01 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-20230167057-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 MTNR1A 2205/4885MTNR1B 2787/4885NR4A2 2070/4885

“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.