SCHEMBL311128

SCHEMBL311128

O=C(O)N1CCCC1c1ccc(-c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.57
SCD O00767 4/20 0.53
SCD5 Q86SK9 3/20 0.53
ADAM17 P78536 3/20 0.53
HSP90AA1 P07900 1/20 0.50
HSP90AB1 P08238 1/20 0.50
EPHX2 P34913 2/20 0.48
HSD11B1 P28845 2/20 0.48
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA7 P36544 1/20 0.45
CHRNA4 P43681 1/20 0.45

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
SCHEMBL535098 0.95 RIPK1 (0.52) RIPK1SCDSCD5ADAM17HSP90AA1
SCHEMBL1853141 0.90 RIPK1 (0.69) RIPK1SCDSCD5HSP90AA1HSP90AB1
SCHEMBL17558248 0.90 RIPK1 (0.69) RIPK1SCDSCD5HSP90AA1HSP90AB1
SCHEMBL1847627 0.90 RIPK1 (0.69) RIPK1SCDSCD5HSP90AA1HSP90AB1
SCHEMBL27574946 0.85 RIPK1 (0.62) RIPK1SCDSCD5HSP90AA1HSP90AB1
SCHEMBL216202 0.85 RIPK1 (0.62) RIPK1SCDSCD5HSP90AA1HSP90AB1
SCHEMBL27574934 0.85 RIPK1 (0.62) RIPK1SCDSCD5HSP90AA1HSP90AB1
Water SCHEMBL27700791 0.83 RIPK1 (0.60) RIPK1SCDSCD5HSP90AA1HSP90AB1
SCHEMBL17142323 0.82 RIPK1 (0.55) RIPK1SCDSCD5HSP90AA1HSP90AB1
SCHEMBL17142311 0.82 TRPA1 (0.51) RIPK1SCD5HSP90AA1HSP90AB1EPHX2

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-8093246-B2 potent deoxycytidine kinase inhibitors; O-linked pyrimidin-4-amine-based compounds LEXICON PHARMACEUTICALS, INC. (US) 2012-01-10 US disclosed
US-20080146571-A1 O-LINKED PYRIMIDIN-4-AMINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE TO TREAT CANCER OXFORD FINANCE LLC, AS COLLATERAL AGENT 2008-06-19 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-20080146571-A1 O-LINKED PYRIMIDIN-4-AMINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE TO TREAT CANCER DPYD, DHFR, TYMP RIPK1 4697/4885SCD 3905/4885SCD5 2087/4885

“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.