SCHEMBL12762387

SCHEMBL12762387

CC(=O)[C@@H](N)CCCCNC(=O)CCN1C(=O)C=CC1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.36
▸ OPRD1 P41143 2/20 0.36
▸ OPRK1 P41145 2/20 0.36
▸ PTGS1 P23219 4/20 0.36
▸ PTGS2 P35354 4/20 0.36
▸ POLB P06746 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ALB P02768 3/20 0.35
▸ DPP7 Q9UHL4 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ GNAI3 P08754 1/20 0.35
▸ GNAO1 P09471 1/20 0.35
▸ GNAI1 P63096 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ FAAH O00519 1/20 0.34
▸ MGLL Q99685 1/20 0.34
▸ NOD1 Q9Y239 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
SCHEMBL13646042 1.00 OPRM1 (0.36) OPRM1OPRD1OPRK1PTGS1PTGS2
SCHEMBL13647132 1.00 OPRM1 (0.36) OPRM1OPRD1OPRK1PTGS1PTGS2
SCHEMBL12835617 0.88 TDP1 (0.45) PTGS1PTGS2TDP1MEN1KMT2A
SCHEMBL12762382 0.88 TDP1 (0.45) PTGS1PTGS2TDP1MEN1KMT2A
SCHEMBL12056276 0.88 PTGS1 (0.37) OPRM1OPRD1OPRK1PTGS1PTGS2
SCHEMBL13686095 0.88 PTGS1 (0.37) OPRM1OPRD1OPRK1PTGS1PTGS2
SCHEMBL13686506 0.87 PTGS1 (0.36) OPRM1OPRD1OPRK1PTGS1PTGS2
SCHEMBL13783669 0.87 PTGS1 (0.40) OPRM1OPRD1OPRK1PTGS1PTGS2
SCHEMBL13880798 0.86 HSD17B10 (0.39) OPRM1OPRD1OPRK1PTGS1PTGS2
SCHEMBL16846255 0.86 HSD17B10 (0.39) OPRM1OPRD1OPRK1PTGS1PTGS2

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-9441023-B2 Peptide YY analogs GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-09-13 — — US disclosed
US-20140329742-A1 THERAPEUTIC PEPTIDES GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2014-11-06 — — US disclosed
US-7906482-B2 Peptide YY (PYY) coupled to a group capable of reacting on a blood component so as to form a stable covalent bond, preventing said PYY peptide from crossing the blood brain barrier; improved bioavailability; reduce tumor necrosis factor (TNF)-induced acute pancreatitis ADVANCED DIAGNOSTICS AND DISCOVERY (US) 2011-03-15 — — US disclosed
US-20080194486-A1 Novel Anti-Obesity Agents CONJUCHEM BIOTECHNOLOGIES, INC. (CA) 2008-08-14 — — US 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-20140329742-A1 THERAPEUTIC PEPTIDES GLP1R, IAPP, GIPR OPRM1 3558/4885OPRD1 3182/4885OPRK1 2555/4885
US-20080194486-A1 Novel Anti-Obesity Agents GIPR, GPR119, GLP1R OPRM1 3070/4885OPRD1 2878/4885OPRK1 1824/4885

“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.

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