SCHEMBL24916006

SCHEMBL24916006

COc1cc(C2CCN(C)CC2)c2nccc(C(C)C)c2c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 4/20 0.42
TLR8 Q9NR97 4/20 0.42
TLR7 Q9NYK1 4/20 0.42
HTR1F P30939 2/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
ELANE P08246 5/20 0.37
CCNT1 O60563 4/20 0.36
CDK9 P50750 4/20 0.36
HTR1A P08908 1/20 0.36
CASP3 P42574 1/20 0.35
CASP7 P55210 1/20 0.35
GSK3B P49841 1/20 0.35
ACVR1 Q04771 1/20 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
SCHEMBL24916005 0.81 TLR9 (0.37) TLR9TLR8TLR7HTR1FHTR1D
SCHEMBL24916030 0.79 TLR9 (0.37) TLR9TLR8TLR7ELANEGSK3B
SCHEMBL24915958 0.79 ELANE (0.43) HTR1DHTR1BELANEHTR1A
SCHEMBL24916357 0.76 MAPT (0.47)
SCHEMBL24915955 0.74 ALDH1A1 (0.44) TLR9TLR8TLR7
SCHEMBL24916219 0.73 PDE10A (0.41) HTR1A
SCHEMBL24915645 0.73 NSD2 (0.44) CASP7
SCHEMBL24916365 0.71 NSD2 (0.39) HTR1ACASP7
SCHEMBL24916031 0.71 KDM4E (0.36) CASP7
SCHEMBL24916430 0.70 NSD2 (0.39) ELANECASP7

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 TLR9 4379/4885TLR8 4298/4885TLR7 4346/4885

“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.