SCHEMBL24915840

SCHEMBL24915840

COc1cc(CN2CCN(C(C)=O)CC2)c2nccc(C(C)C)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 2/20 0.46
DRD3 P35462 1/20 0.43
APP P05067 1/20 0.42
LRRK2 Q5S007 1/20 0.41
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 4/20 0.40
MAPT P10636 4/20 0.40
NPC1 O15118 2/20 0.40
MPI P34949 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CTSB P07858 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
TP53 P04637 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL24916357 0.86 MAPT (0.47) MTNR1BDRD3ALDH1A1KDM4EMAPT
SCHEMBL24916127 0.85 ALDH1A1 (0.48) MTNR1BDRD3APPLRRK2ALDH1A1
SCHEMBL24915841 0.85 KDM4E (0.44) ALDH1A1KDM4EMAPTNPC1MPI
SCHEMBL24915979 0.83 MAPT (0.40) MTNR1BLRRK2ALDH1A1KDM4EMAPT
SCHEMBL24916359 0.83 HTT (0.46) ALDH1A1KDM4EMAPTNPC1MPI
SCHEMBL24915957 0.82 LRRK2 (0.45) DRD3LRRK2ALDH1A1KDM4EMAPT
SCHEMBL24916363 0.81 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL24915839 0.81 LRRK2 (0.39) MTNR1BLRRK2ALDH1A1KDM4EMAPT
SCHEMBL24916360 0.79 KDM4E (0.43) ALDH1A1KDM4EMAPTNPC1MPI
SCHEMBL24916430 0.77 NSD2 (0.39) MTNR1BKDM4ELMNA

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 MTNR1B 3677/4885DRD3 4481/4885APP 3954/4885

“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.