SCHEMBL21026002

SCHEMBL21026002

CC(C)(C)c1ccc2c(cnn2CCN2CCCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 19/20 0.53
CYP3A4 P08684 3/20 0.53
CYP2C19 P33261 2/20 0.53
MCHR2 Q969V1 3/20 0.47
KDM4E B2RXH2 1/20 0.45
KCNH2 Q12809 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
SCHEMBL14093244 0.91 HDAC3 (0.46) MCHR1CYP3A4CYP2C19MCHR2
SCHEMBL13483883 0.90 SIGMAR1 (0.48) MCHR1CYP3A4CYP2C19
SCHEMBL21026147 0.89 MCHR1 (0.47) MCHR1CYP3A4CYP2C19MCHR2KDM4E
SCHEMBL21025978 0.84 SIGMAR1 (0.51) MCHR1CYP3A4CYP2C19
SCHEMBL18731915 0.82 MCHR1 (0.61) MCHR1CYP3A4CYP2C19MCHR2KCNH2
SCHEMBL21026071 0.79 SIGMAR1 (0.48) MCHR1
SCHEMBL538977 0.79 MCHR1 (0.53) MCHR1CYP3A4CYP2C19MCHR2KCNH2
SCHEMBL384710 0.79 MCHR1 (0.50) MCHR1CYP3A4CYP2C19MCHR2KCNH2
SCHEMBL385334 0.79 MCHR1 (0.50) MCHR1CYP3A4CYP2C19MCHR2KCNH2
SCHEMBL13624088 0.78 HTR2A (0.40) KCNH2

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.