SCHEMBL24915646

SCHEMBL24915646

COc1cc(C)cc2c(C(C)C)ccnc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 3/20 0.37
P2RX2 Q9UBL9 3/20 0.37
HTR1A P08908 2/20 0.37
ADRA1D P25100 2/20 0.37
ADRA1A P35348 2/20 0.37
ADRA1B P35368 2/20 0.37
ACHE P22303 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
HSP90AA1 P07900 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
MMP14 P50281 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ATP4A P20648 2/20 0.35
ATP4B P51164 2/20 0.35

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
SCHEMBL24916219 0.84 PDE10A (0.41) P2RX3P2RX2HTR1AADRA1DADRA1A
SCHEMBL10257047 0.80 CCR1 (0.48) HTR1AADRA1DADRA1AADRA1BACHE
SCHEMBL24916213 0.78 ATP4A (0.43) P2RX3P2RX2ACHEMEN1MAPT
SCHEMBL29923648 0.78 NSD2 (0.41) HTR1AADRA1DADRA1AADRA1BACHE
SCHEMBL17502531 0.78 NSD2 (0.41) HTR1AADRA1DADRA1AADRA1BACHE
SCHEMBL24392332 0.78 HTR1A (0.56) HTR1AADRA1DADRA1AADRA1BKDM4E
SCHEMBL24837289 0.76 HTR1A (0.38) P2RX3P2RX2HTR1AADRA1DADRA1A
SCHEMBL24915645 0.75 NSD2 (0.44) P2RX3P2RX2ACHEHSP90AA1
SCHEMBL24916215 0.75 KRAS (0.43) P2RX3P2RX2POLBGAAGFER
SCHEMBL24915675 0.74 LOXL2 (0.33) KDM4EMEN1KMT2A

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 P2RX3 3671/4885P2RX2 3727/4885HTR1A 4192/4885

“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.