SCHEMBL21026071

SCHEMBL21026071

CC(C)(C)c1ccc2cnn(CCN3CCOCC3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.48
NPSR1 Q6W5P4 2/20 0.42
EGFR P00533 3/20 0.42
HDAC3 O15379 2/20 0.40
HDAC2 Q92769 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MCHR1 Q99705 2/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
HDAC1 Q13547 1/20 0.39
TLR9 Q9NR96 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
KMO O15229 1/20 0.38

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
SCHEMBL21026073 0.94 SIGMAR1 (0.51) SIGMAR1NPSR1EGFRL3MBTL1CNR1
SCHEMBL13483883 0.90 SIGMAR1 (0.48) SIGMAR1NPSR1EGFRHDAC3HDAC2
SCHEMBL21026147 0.90 MCHR1 (0.47) SIGMAR1MCHR1ALDH1A1
SCHEMBL21025978 0.84 SIGMAR1 (0.51) SIGMAR1NPSR1EGFRHDAC3HDAC2
SCHEMBL18731897 0.83 KMO (0.56) EGFRHDAC3HDAC2MCHR1ALDH1A1
SCHEMBL21025999 0.83 EGFR (0.42) SIGMAR1NPSR1EGFRHDAC3HDAC2
SCHEMBL17673722 0.80 EGFR (0.56) EGFRHDAC3HDAC2MCHR1HDAC1
SCHEMBL521061 0.80 HDAC3 (0.47) EGFRHDAC3HDAC2MCHR1CNR1
SCHEMBL21026002 0.79 MCHR1 (0.53) MCHR1
SCHEMBL14093244 0.78 HDAC3 (0.46) HDAC3HDAC2MCHR1HDAC1

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 3139/4885NPSR1 1404/4885EGFR 1150/4885

“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.