SCHEMBL5519043

SCHEMBL5519043

CC1(C)COC2(CCC(Oc3ccc(C#N)cn3)CC2)OC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.43
DPP4 P27487 2/20 0.39
DPP9 Q86TI2 2/20 0.39
DPP8 Q6V1X1 1/20 0.39
AXL P30530 1/20 0.39
MERTK Q12866 1/20 0.39
HSD11B1 P28845 6/20 0.39
HSD11B2 P80365 3/20 0.39
ACACB O00763 2/20 0.38
DGAT1 O75907 2/20 0.36
AR P10275 2/20 0.35
ADORA2A P29274 1/20 0.34
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 2/20 0.34
IKBKE Q14164 1/20 0.34
TBK1 Q9UHD2 1/20 0.34
AVPR1A P37288 1/20 0.34

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
SCHEMBL5527463 0.81 HRH3 (0.52) HRH3
SCHEMBL30222295 0.79 DPP4 (0.52) IP6K1DPP4DPP9DPP8AXL
SCHEMBL25615427 0.79 DPP4 (0.52) IP6K1DPP4DPP9DPP8AXL
SCHEMBL27301049 0.78 IP6K1 (0.46) IP6K1DPP4DPP9DPP8AXL
SCHEMBL14597175 0.77 NNMT (0.46) IP6K1DGAT1KCNH2HRH3
SCHEMBL2582253 0.77 DPP4 (0.43) IP6K1DPP4DPP9DPP8AXL
SCHEMBL2695269 0.76 DPP4 (0.53) IP6K1DPP4DPP9DPP8AXL
SCHEMBL27301167 0.76 HSD11B1 (0.40) IP6K1DPP4DPP9DPP8AXL
SCHEMBL29483220 0.75 TBK1 (0.48) IP6K1DPP4DPP9DPP8AXL
SCHEMBL1461328 0.75 TBK1 (0.48) IP6K1DPP4DPP9DPP8AXL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8840878-B2 Peptidomimetic sulfamide compounds and antiviral uses thereof NOVARTIS AG (CH) 2014-09-23 US disclosed
EP-1697307-B1 OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2014-03-12 EP disclosed
EP-1697307-B1 OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2014-03-12 EP disclosed
US-7196100-B2 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2007-03-27 US disclosed
US-7196100-B2 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2007-03-27 US disclosed
US-7196100-B2 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2007-03-27 US disclosed
US-20070010558-A1 Opioid receptor antagonists ELI LILLY AND COMPANY PATENT DIVISION (US) 2007-01-11 US disclosed
US-20070010558-A1 Opioid receptor antagonists ELI LILLY AND COMPANY PATENT DIVISION (US) 2007-01-11 US disclosed
US-20070010558-A1 Opioid receptor antagonists ELI LILLY AND COMPANY PATENT DIVISION (US) 2007-01-11 US disclosed
EP-1697307-A1 OPIOID RECEPTOR ANTAGONISTS Eli Lilly & Company (US) 2006-09-06 EP disclosed
WO-2005061442-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-07-07 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-20070010558-A1 Opioid receptor antagonists OPRM1, OPRK1, OPRL1 IP6K1 3796/4885DPP4 1387/4885DPP9 1914/4885

“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.