SCHEMBL24915635

SCHEMBL24915635

CCCc1ccc2c(c1)C(C(C)C)CCO2

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.39
CYP2D6 P10635 3/20 0.39
SLC6A4 P31645 3/20 0.39
KIF11 P52732 1/20 0.36
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
PKM P14618 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
CTSD P07339 1/20 0.32
BACE1 P56817 1/20 0.32

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
SCHEMBL8773445 0.82 HTR1A (0.50) HTR1ACYP2D6SLC6A4KIF11PRMT5
SCHEMBL24915969 0.77 ADRA2A (0.48) HTR1AHTR2CHTR2BPKM
SCHEMBL24915657 0.77 ADRA2A (0.48) HTR1AHTR2CHTR2BPKM
SCHEMBL18827328 0.77 MAP3K14 (0.39) SLC6A4
SCHEMBL12609031 0.76 GRM7 (0.38) HTR2C
SCHEMBL16691509 0.76 PTGS1 (0.36) KIF11
SCHEMBL23841478 0.76 MAP3K14 (0.51) HTR1ASLC6A4HTR2CHTR2BCNR1
SCHEMBL12169251 0.76 GRM7 (0.38) HTR2C
SCHEMBL12609027 0.76 GRM7 (0.38) HTR2C
SCHEMBL24915656 0.75 KCNH2 (0.37)

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 HTR1A 4192/4885CYP2D6 4154/4885SLC6A4 4255/4885

“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.