SCHEMBL2574121

SCHEMBL2574121

CN(C)/C=C1\C(=O)CCC(C)(C)C1=O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAP1LC3B Q9GZQ8 5/20 0.34
HTT P42858 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HIF1A Q16665 1/20 0.33
LMNA P02545 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX15 P16050 1/20 0.31
CYP2C19 P33261 1/20 0.31
CREBBP Q92793 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL2574122 1.00 MAPT (0.36) MAPTGAANPSR1SMN1; SMN2TP53
SCHEMBL5827114 0.76 KDM4E (0.33) GAAPOLB
SCHEMBL10700795 0.76 MAPT (0.31) MAPTALOX15
SCHEMBL5827115 0.76 KDM4E (0.33) GAAPOLB
SCHEMBL18700796 0.76 KDM4E (0.33) GAAPOLB
SCHEMBL6837311 0.74 MAP1LC3B (0.47) MAPTGAANPSR1SMN1; SMN2TP53
SCHEMBL3859660 0.71
SCHEMBL3142596 0.70 SMN1; SMN2 (0.52) MAPTGAANPSR1SMN1; SMN2TP53
SCHEMBL955853 0.70 SMN1; SMN2 (0.57) MAPTGAANPSR1SMN1; SMN2TP53
SCHEMBL19913889 0.69 KDM4E (0.32) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4543437-A1 3-?HSD1 INHIBITORS AND COMPOSITIONS AND USES THEREOF THE CLEVELAND CLINIC FOUNDATION (US) 2025-04-30 EP disclosed
WO-2023250480-A1 3-βHSD1 INHIBITORS AND COMPOSITIONS AND USES THEREOF THE CLEVELAND CLINIC FOUNDATION (US) 2023-12-28 WO disclosed
WO-2015083130-A1 FUSED PYRIDINE AND PYRIMIDINE DERIVATIVES AS ROR GAMMA MODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-06-11 WO disclosed
WO-2015083130-A1 FUSED PYRIDINE AND PYRIMIDINE DERIVATIVES AS ROR GAMMA MODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-06-11 WO disclosed
US-8697744-B2 Substituted 5,6-dihydro-4H-thiazolo[4,5-E]indazoles and their use as positive allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA S.A. (CH) 2014-04-15 US disclosed
WO-2012085166-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2012-06-28 WO disclosed
US-20110319425-A1 HETEROTRICYCLIC COMPOUNDS AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2011-12-29 US disclosed
EP-2382219-A1 HETEROTRICYCLIC COMPOUNDS AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX Pharma S.A. (CH) 2011-11-02 EP disclosed
WO-2010079238-A1 HETEROTRICYCLIC COMPOUNDS AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2010-07-15 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-20110319425-A1 HETEROTRICYCLIC COMPOUNDS AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM1, GRM4, GRM2 MAPT 1997/4885GAA 2907/4885NPSR1 386/4885

“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.