SCHEMBL24670531

SCHEMBL24670531

CC(C)c1cccc2c1CN(C(C)C)C2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.46
DPP4 P27487 4/20 0.42
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
ANPEP P15144 4/20 0.40
KMT2A Q03164 2/20 0.35
FAAH O00519 2/20 0.34
LMNA P02545 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
GABRA1 P14867 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
PTGS1 P23219 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2C P28335 1/20 0.34

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
SCHEMBL25820350 0.84 GRM5 (0.40) IDH1DPP4NR1H2NR1H3ANPEP
SCHEMBL18368359 0.81 DPP4 (0.43) DPP4NR1H2NR1H3ANPEPKMT2A
SCHEMBL17517176 0.80 IDH1 (0.46) IDH1KMT2ATSHRTHRBMAP3K5
SCHEMBL17517149 0.80 MAPK1 (0.48) IDH1KMT2AKCNH2
SCHEMBL23639681 0.80 DPP4 (0.42) DPP4NR1H2NR1H3ANPEPKMT2A
SCHEMBL7952458 0.80 IDH1 (0.46) IDH1DPP4KMT2ALMNAHTR2B
SCHEMBL17517182 0.80 IDH1 (0.46) IDH1KMT2AHPGDTSHRHTR2C
SCHEMBL24671601 0.79 IDH1 (0.45) IDH1DPP4ANPEPKMT2ALMNA
SCHEMBL7676186 0.78 ALOX15 (0.44) KMT2ACYP3A4HPGDTHRB
SCHEMBL17050405 0.78 IDH1 (0.47) IDH1DPP4NR1H2NR1H3ANPEP

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 US disclosed
WO-2022235715-A1 COMPOUNDS FOR INHIBITING OR DEGRADING ITK, COMPOSITIONS, COMPRISING THE SAME METHODS OF THEIR MAKING AND METHODS OF THEIR USE NURIX THERAPEUTICS, INC. (US) 2022-11-10 WO 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-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA IDH1 1953/4885DPP4 3650/4885NR1H2 776/4885

“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.