SCHEMBL6889351

SCHEMBL6889351

CC(C)c1cn(C)c(=O)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.40
DAO P14920 3/20 0.38
HTT P42858 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
SCHEMBL4752880 0.74 DAO (0.40) CRBNDAOHTT
SCHEMBL13934651 0.69 DDB1 (0.50) CRBNDAOHTT
SCHEMBL3584096 0.69
SCHEMBL20201892 0.67
SCHEMBL9880650 0.64 ERCC1 (0.49) CRBN
SCHEMBL23224166 0.64 DAO (0.43) CRBNDAO
SCHEMBL13320099 0.64
SCHEMBL2986044 0.64 DAO (0.46) CRBNDAOHTT
SCHEMBL45882 0.64 DAO (0.43) CRBNDAOHTT
SCHEMBL4379234 0.64 LMNA (0.46) CRBNDAOHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160324881-A1 Neurokinin-1 Receptor Antagonists For Use In A Method Of Prevention Of Cancer ONCOPREVENT GMBH (DE) 2016-11-10 US disclosed
US-20110086841-A1 N-9 SUBSTITUTED PURINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2011-04-14 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 (2 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-20110086841-A1 N-9 SUBSTITUTED PURINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE ADORA3, ADORA2A, ADORA2B CRBN 4698/4885DAO 471/4885HTT 2814/4885
US-20160324881-A1 Neurokinin-1 Receptor Antagonists For Use In A Method Of Prevention Of Cancer TACR1, KISS1R, TACR2 CRBN 3211/4885DAO 3307/4885HTT 2822/4885

“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.