SCHEMBL5527463

SCHEMBL5527463

CC1(C)COC2(CCC(Oc3ccc(C#N)cc3)CC2)OC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.52
GPR119 Q8TDV5 1/20 0.40
FPR2 P25090 1/20 0.38
PROKR1 Q8TCW9 1/20 0.38
EPHX2 P34913 3/20 0.37
TRPC6 Q9Y210 2/20 0.37
MMP13 P45452 1/20 0.36
MMP14 P50281 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35

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
SCHEMBL5519043 0.81 IP6K1 (0.43) HRH3
SCHEMBL22138868 0.75 HRH3 (0.71) HRH3GPR119FPR2PROKR1EPHX2
SCHEMBL5024491 0.75 HRH3 (0.71) HRH3GPR119FPR2PROKR1EPHX2
SCHEMBL20076154 0.73 HRH3 (0.54) HRH3GPR119FPR2PROKR1TRPC6
SCHEMBL21130985 0.72 HRH3 (0.67) HRH3GPR119FPR2PROKR1EPHX2
SCHEMBL247758 0.72 HRH3 (0.71) HRH3GPR119FPR2PROKR1EPHX2
SCHEMBL2707675 0.71 HRH3 (0.61) HRH3GPR119FPR2PROKR1EPHX2
SCHEMBL7061476 0.71 HRH3 (0.71) HRH3GPR119FPR2PROKR1EPHX2
SCHEMBL506979 0.71 HRH3 (0.71) HRH3GPR119FPR2PROKR1EPHX2
SCHEMBL4237757 0.71 HRH3 (0.53) HRH3GPR119FPR2PROKR1MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HRH3 669/4885GPR119 17/4885FPR2 987/4885

“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.