SCHEMBL24916005

SCHEMBL24916005

CCc1cc(C2CCN(C)CC2)c2nccc(C(C)C)c2c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 10/20 0.37
TLR8 Q9NR97 10/20 0.37
TLR7 Q9NYK1 10/20 0.37
HTR1D P28221 5/20 0.34
HTR1B P28222 5/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
THPO P40225 1/20 0.34
HTR1A P08908 2/20 0.34
HTR1F P30939 3/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR1E P28566 1/20 0.33
HTR6 P50406 1/20 0.33
HTR4 Q13639 1/20 0.33
DRD2 P14416 1/20 0.33

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
SCHEMBL24916006 0.81 TLR9 (0.42) TLR9TLR8TLR7HTR1DHTR1B
SCHEMBL24915960 0.79 HTR1A (0.41) TLR9TLR8TLR7HTR1AHTR2A
SCHEMBL24915530 0.77 HTR7 (0.42)
SCHEMBL22253420 0.74 NPC1 (0.36) CYP3A4HTR1AHTR2AHTR2C
SCHEMBL24915529 0.73 HTR7 (0.42)
SCHEMBL24915952 0.71 PIK3CA (0.37)
SCHEMBL24916036 0.70 KDM4E (0.36)
SCHEMBL24916039 0.70 NOS3 (0.36) HTR1DHTR1BHTR1A
SCHEMBL24915647 0.70 NOS3 (0.33)
SCHEMBL24916426 0.69 HPGD (0.35) CYP1A2CYP3A4CYP2D6CYP2C9

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.