SCHEMBL24915549

SCHEMBL24915549

COc1cnc2c(c1)c(C(C)C)cn2C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.48
MTNR1B P49286 3/20 0.35
ATP4A P20648 2/20 0.33
ATP4B P51164 2/20 0.33
HSP90AA1 P07900 2/20 0.33
HSP90AB1 P08238 2/20 0.33
PDK1 Q15118 1/20 0.33
LRRK2 Q5S007 1/20 0.32
P2RX3 P56373 2/20 0.32
P2RX2 Q9UBL9 2/20 0.32
PDE10A Q9Y233 1/20 0.32
ACVR2A P27037 1/20 0.32
TGFBR2 P37173 1/20 0.32
MET P08581 2/20 0.31
HTT P42858 1/20 0.31
RXRA P19793 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30
CRHR1 P34998 1/20 0.30
HAVCR2 Q8TDQ0 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
SCHEMBL24916180 0.81 MTNR1A (0.38) MTNR1AATP4AATP4BHSP90AA1HSP90AB1
SCHEMBL15341896 0.78 REN (0.33) PDK1
SCHEMBL22150189 0.78 HPGD (0.40) LRRK2HTT
SCHEMBL31370659 0.78 MTNR1A (0.50) MTNR1AMTNR1BHSP90AA1HSP90AB1PDK1
SCHEMBL12640273 0.78 MTNR1A (0.50) MTNR1AHSP90AA1HSP90AB1PDK1LRRK2
SCHEMBL8126470 0.74 ALDH1A1 (0.52) MTNR1AACVR2ATGFBR2
SCHEMBL23809276 0.73 ACE2 (0.39) MTNR1ARXRA
SCHEMBL21979491 0.73 MTNR1A (0.55) MTNR1A
SCHEMBL22316063 0.71 MTNR1A (0.61) MTNR1AMTNR1BLRRK2HTT
SCHEMBL23809165 0.71 MTNR1A (0.43) MTNR1AMTNR1BLRRK2MET

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-20230026466-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2023-01-26 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-20230026466-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 MTNR1A 3776/4885MTNR1B 3677/4885ATP4A 3440/4885

“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.