SCHEMBL4957151

SCHEMBL4957151

CC(C)(C)c1noc(C2CCCN2)n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.46
SCN10A Q9Y5Y9 1/20 0.38
CHRM2 P08172 4/20 0.35
CHRM5 P08912 4/20 0.35
CHRM3 P20309 4/20 0.35
CHRM4 P08173 3/20 0.35
CHRM1 P11229 3/20 0.35
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33

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
SCHEMBL4957148 1.00 NR1H4 (0.46) NR1H4SCN10ACHRM2CHRM5CHRM3
Trifluoroacetic Acid SCHEMBL4958295 0.88 NR1H4 (0.39) NR1H4SCN10A
Trifluoroacetic Acid SCHEMBL4958292 0.88 NR1H4 (0.39) NR1H4SCN10A
SCHEMBL951881 0.78 NR1H4 (0.49) NR1H4CHRM2CHRM5CHRM3CHRM4
SCHEMBL15934142 0.78 NR1H4 (0.49) NR1H4CHRM2CHRM5CHRM3CHRM4
SCHEMBL174089 0.78 NR1H4 (0.49) NR1H4CHRM2CHRM5CHRM3CHRM4
SCHEMBL15931973 0.74 NR1H4 (0.49) NR1H4CHRM2CHRM5CHRM3CHRM4
SCHEMBL19478978 0.74 NR1H4 (0.49) NR1H4CHRM2CHRM5CHRM3CHRM4
SCHEMBL15932007 0.74 NR1H4 (0.49) NR1H4CHRM2CHRM5CHRM3CHRM4
SCHEMBL6371414 0.74 NPC1 (0.45) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080015146-A1 Dpp-IV Inhibitors SANTHERA PHARMACEUTICALS (DEUTSCHLAND) AG (DE) 2008-01-17 US disclosed
EP-1786806-A1 DPP-IV INHIBITORS Santhera Pharmaceuticals (Schweiz) AG (CH) 2007-05-23 EP disclosed
WO-2005121131-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2005-12-22 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-20080015146-A1 Dpp-IV Inhibitors DPP4, DPP9, DPP3 NR1H4 1322/4885SCN10A 803/4885CHRM2 2445/4885

“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.