SCHEMBL8301882

SCHEMBL8301882

CN[C@@H](Cc1c(C)cc(O)cc1C)C(C)=O

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.39
CYP3A4 P08684 1/20 0.38
ACHE P22303 1/20 0.38
OPRD1 P41143 3/20 0.36
OPRK1 P41145 2/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL13282134 1.00 OPRM1 (0.39) OPRM1CYP3A4ACHEOPRD1OPRK1
SCHEMBL38802 0.86 OPRK1 (0.39) OPRM1CYP3A4ACHEOPRD1OPRK1
SCHEMBL6304792 0.86 OPRK1 (0.39) OPRM1CYP3A4ACHEOPRD1OPRK1
SCHEMBL20803671 0.82 OPRM1 (0.38) OPRM1OPRD1OPRK1
SCHEMBL13288276 0.81 GPR35 (0.36)
SCHEMBL13768442 0.80 HSP90AB1 (0.44) CYP3A4ACHELMNA
SCHEMBL22923385 0.80 OPRM1 (0.38) OPRM1OPRD1OPRK1
SCHEMBL18737720 0.79 ESR2 (0.46) OPRM1CYP3A4OPRK1
SCHEMBL18375253 0.78 OPRM1 (0.46) OPRM1OPRD1
SCHEMBL18655444 0.77 LMNA (0.45) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210552-A1 HUMAN GLUCAGON-LIKE PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2010-08-19 US disclosed
US-20100210552-A1 HUMAN GLUCAGON-LIKE PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2010-08-19 US disclosed
US-20070287670-A1 HUMAN GLUCAGON-LIKE PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2007-12-13 US disclosed
US-20070287670-A1 HUMAN GLUCAGON-LIKE PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2007-12-13 US disclosed
US-7238671-B2 Human glucagon-like-peptide-1 mimics and their use in the treatment of diabetes and related conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-03 US disclosed
US-7238671-B2 Human glucagon-like-peptide-1 mimics and their use in the treatment of diabetes and related conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-03 US disclosed
US-7238670-B2 Human glucagon-like-peptide-1 mimics and their use in the treatment of diabetes and related conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-03 US disclosed
US-7238670-B2 Human glucagon-like-peptide-1 mimics and their use in the treatment of diabetes and related conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-03 US disclosed
WO-2004094461-A2 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-04 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 (2 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-20070287670-A1 HUMAN GLUCAGON-LIKE PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS GLP1R, IAPP, GIPR OPRM1 3914/4885CYP3A4 3716/4885ACHE 3672/4885
US-20100210552-A1 HUMAN GLUCAGON-LIKE PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS GLP1R, IAPP, GIPR OPRM1 3914/4885CYP3A4 3716/4885ACHE 3672/4885

“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.