SCHEMBL21026153

SCHEMBL21026153

CC(C)(C)c1ccc2c(c1)ncn2CCCN1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.51
DRD2 P14416 2/20 0.46
DRD4 P21917 2/20 0.46
DRD3 P35462 2/20 0.46
MAPK13 O15264 3/20 0.46
MAPK12 P53778 3/20 0.46
MAPK11 Q15759 3/20 0.46
MAPK14 Q16539 3/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPT P10636 1/20 0.46
FGFR1 P11362 3/20 0.45
SRC P12931 2/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 2/20 0.45
HPGD P15428 2/20 0.45
GLA P06280 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL21026149 0.94 SIGMAR1 (0.48) SIGMAR1HSD17B10MAPTFGFR1SRC
SCHEMBL21025785 0.91 SIGMAR1 (0.51) SIGMAR1DRD2DRD4DRD3MAPK13
SCHEMBL21026152 0.89 KDM4E (0.50) SIGMAR1DRD2DRD4DRD3HSD17B10
SCHEMBL18731914 0.84 HSD17B10 (0.53) DRD2DRD4DRD3MAPK13MAPK12
SCHEMBL21025782 0.84 SIGMAR1 (0.48) SIGMAR1MAPK13MAPK12MAPK11MAPK14
SCHEMBL17678289 0.81 DRD2 (0.49) DRD2DRD4DRD3HSD17B10MAPT
SCHEMBL21026262 0.79 KDM4E (0.50) SIGMAR1DRD2DRD4DRD3KDM4E
SCHEMBL17678347 0.77 KDM4E (0.51) HSD17B10MAPTFGFR1SRCKDM4E
SCHEMBL22449401 0.77 PKM (0.57) DRD2DRD4DRD3HSD17B10MAPT
SCHEMBL17678358 0.77 KDM4E (0.53) DRD2DRD4DRD3MAPK13MAPK12

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-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2019-05-23 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-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES HPSE, GAA, MAN2B1 SIGMAR1 3139/4885DRD2 4884/4885DRD4 4885/4885

“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.