SCHEMBL1045230

SCHEMBL1045230

Cn1cnc(C(C)(C)C(=O)O)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
TSHR P16473 1/20 0.36
MTOR P42345 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 1/20 0.33
GRN P28799 1/20 0.33
SORT1 Q99523 1/20 0.33
CPB2 Q96IY4 1/20 0.32
CYP2E1 P05181 1/20 0.32
CYP2A6 P11509 1/20 0.32
CYP2B6 P20813 1/20 0.32
LMNA P02545 2/20 0.32
DGAT1 O75907 1/20 0.31
FTO Q9C0B1 1/20 0.30

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
SCHEMBL12928753 0.85 CYP2C9 (0.36) CYP2C9CYP2C19TSHRMTORHRH4
SCHEMBL8472358 0.83 CYP2C9 (0.39) CYP2C9CYP2C19TSHRMTORHRH4
SCHEMBL13563918 0.80 PLCG1 (0.37) CYP2C9CYP2C19TSHRMTORHRH4
SCHEMBL1047777 0.76 CNR2 (0.38) CYP2C9CYP2C19TSHRMTORHRH4
SCHEMBL14037264 0.75 CYP2C19 (0.36) CYP2C9CYP2C19TSHRMTORHRH4
SCHEMBL443058 0.74 CYP2C9 (0.39) CYP2C9CYP2C19TSHRMTORHRH4
SCHEMBL18074293 0.74 CYP2C19 (0.35) CYP2C9CYP2C19TSHRMTORHRH4
SCHEMBL28374459 0.74 CYP2C19 (0.35) CYP2C9CYP2C19TSHRMTORHRH4
SCHEMBL18871348 0.71 CYP2C9 (0.36) CYP2C9CYP2C19TSHRMTORHRH4
SCHEMBL24608292 0.71 CYP2C9 (0.33) CYP2C9CYP2C19TSHRMTORHRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868036-B2 Organic compounds NOVARTIS AG (CH) 2011-01-11 US disclosed
US-20080058320-A1 Organic Compounds NOVARTIS AG (CH) 2008-03-06 US disclosed
EP-1725530-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-11-29 EP disclosed
WO-2005090304-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-09-29 WO 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-20080058320-A1 Organic Compounds REN, AGTR1, ADH1C CYP2C9 154/4885CYP2C19 174/4885TSHR 817/4885

“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.