SCHEMBL25820158

SCHEMBL25820158

Cc1nc2ccccc2c(CC(C)C)c1C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.48
PDE10A Q9Y233 1/20 0.47
ELANE P08246 1/20 0.46
ALDH1A1 P00352 4/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
CYP1A2 P05177 1/20 0.44
NUDT1 P36639 1/20 0.44
HSD17B10 Q99714 1/20 0.44
USP2 O75604 1/20 0.42
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
DHODH Q02127 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL10496106 0.80 GPR3 (0.53) GPR3PDE10AALDH1A1HPGDKDM4E
SCHEMBL3970688 0.80 PDE10A (0.56) GPR3PDE10AALDH1A1HPGDKDM4E
SCHEMBL3970686 0.79 PDE10A (0.54) GPR3PDE10AELANEALDH1A1HPGD
SCHEMBL30197653 0.77 ALDH1A1 (0.70) GPR3PDE10AELANEALDH1A1HPGD
SCHEMBL28985726 0.77 ALDH1A1 (0.70) GPR3PDE10AELANEALDH1A1HPGD
SCHEMBL231530 0.73 GPR3 (0.64) GPR3PDE10AALDH1A1HPGDKDM4E
SCHEMBL10015630 0.73 GPR3 (0.53) GPR3PDE10AALDH1A1HPGDKDM4E
SCHEMBL12451145 0.72 NOS3 (0.33) HPGDKDM4EHSD17B10USP2
SCHEMBL25820126 0.72 KDM4E (0.40) GPR3ELANEALDH1A1HPGDKDM4E
SCHEMBL31275651 0.72 ELANE (0.41) PDE10AELANEALDH1A1HPGDKDM4E

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
US-20230183226-A1 AKT3 MODULATORS Georgiamune Inc. 2023-06-15 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 (2 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-20230183226-A1 AKT3 MODULATORS AKT3, AKT2, MTOR GPR3 428/4885PDE10A 529/4885ELANE 1623/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA GPR3 485/4885PDE10A 611/4885ELANE 2543/4885

“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.