SCHEMBL21026147

SCHEMBL21026147

CC(C)(C)c1ccc2cnn(CCN3CCCC3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.47
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
KDM4E B2RXH2 4/20 0.45
MCHR2 Q969V1 4/20 0.44
RECQL P46063 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41

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
SCHEMBL21026071 0.90 SIGMAR1 (0.48) MCHR1SIGMAR1ALDH1A1
SCHEMBL21026002 0.89 MCHR1 (0.53) MCHR1CYP3A4CYP2C19KDM4EMCHR2
SCHEMBL21026073 0.84 SIGMAR1 (0.51) CYP3A4KDM4ERECQLSIGMAR1ALDH1A1
SCHEMBL17678169 0.82 KMO (0.58) MCHR1MCHR2SIGMAR1
SCHEMBL14093244 0.80 HDAC3 (0.46) MCHR1CYP3A4CYP2C19MCHR2
SCHEMBL13483883 0.79 SIGMAR1 (0.48) MCHR1CYP3A4CYP2C19SIGMAR1
SCHEMBL6069755 0.79 MCHR1 (0.47) MCHR1MCHR2SIGMAR1
SCHEMBL17678223 0.79 KMO (0.58) MCHR1MCHR2
SCHEMBL4539220 0.79 MCHR1 (0.47) MCHR1CYP3A4CYP2C19MCHR2
SCHEMBL21026066 0.78 HTR7 (0.51) MCHR1MCHR2ALDH1A1SMN1; SMN2HTR1D

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 MCHR1 3488/4885CYP3A4 3390/4885CYP2C19 2275/4885

“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.