SCHEMBL13224352

SCHEMBL13224352

CC(NC(=O)C(C)NC(=O)C(Cc1ccc(Cl)cc1)NC(=O)C(Cc1ccc(Cl)cc1)NC(=O)C(N)Cc1ccc(Cl)cc1)C(=O)NC(C)C(=O)NC(CCCCN)C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 1/20 0.47
▸ OPRK1 P41145 1/20 0.47
▸ NPY4R P50391 3/20 0.47
▸ NPY1R P25929 2/20 0.47
▸ NPY2R P49146 2/20 0.47
▸ NPY5R Q15761 2/20 0.47
▸ GHSR Q92847 1/20 0.46

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
SCHEMBL13224412 0.94 OPRK1 (0.47) OPRK1NPY4RNPY1RNPY2RNPY5R
SCHEMBL11048780 0.87 OPRK1 (0.51) OPRK1GHSR
SCHEMBL13224316 0.84 F2 (0.45) GHSR
SCHEMBL13224318 0.84 F2 (0.45) GHSR
SCHEMBL13224313 0.84 F2 (0.45) GHSR
SCHEMBL11045721 0.84 OPRK1 (0.50) OPRK1GHSR
SCHEMBL11045505 0.84 OPRK1 (0.50) OPRK1GHSR
SCHEMBL31181266 0.82 GNPAT (0.59) FURINOPRK1
SCHEMBL22133134 0.81 NPY4R (0.58) NPY4RNPY1RNPY2RNPY5R
SCHEMBL30497071 0.81 GNPAT (0.58) FURINOPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8884214-B2 Methods of using halogenated peptides as internal standards for liquid chromatography-mass spectrometry INSTITUTE FOR SYSTEMS BIOLOGY (US) 2014-11-11 — — US disclosed
US-8884214-B2 Methods of using halogenated peptides as internal standards for liquid chromatography-mass spectrometry INSTITUTE FOR SYSTEMS BIOLOGY (US) 2014-11-11 — — US disclosed
US-20130193317-A1 METHODS OF USING HALOGENATED PEPTIDES AS INTERNAL STANDARDS FOR LIQUID CHROMATOGRAPHY-MASS SPECTROMETRY INSTITUTE FOR SYSTEMS BIOLOGY (US) 2013-08-01 — — US disclosed
US-20130193317-A1 METHODS OF USING HALOGENATED PEPTIDES AS INTERNAL STANDARDS FOR LIQUID CHROMATOGRAPHY-MASS SPECTROMETRY INSTITUTE FOR SYSTEMS BIOLOGY (US) 2013-08-01 — — US disclosed
US-8324347-B2 Methods of using halogenated peptides as internal standards for liquid chromatography-mass spectrometry INSTITUTE FOR SYSTEMS BIOLOGY (US) 2012-12-04 — — US disclosed
US-8324347-B2 Methods of using halogenated peptides as internal standards for liquid chromatography-mass spectrometry INSTITUTE FOR SYSTEMS BIOLOGY (US) 2012-12-04 — — US disclosed
US-20100216180-A1 METHODS OF USING HALOGENATED PEPTIDES AS INTERNAL STANDARDS FOR LIQUID CHROMATOGRAPHY-MASS SPECTROMETRY INSTITUTE FOR SYSTEMS BIOLOGY (US) 2010-08-26 — — US disclosed
US-20100216180-A1 METHODS OF USING HALOGENATED PEPTIDES AS INTERNAL STANDARDS FOR LIQUID CHROMATOGRAPHY-MASS SPECTROMETRY INSTITUTE FOR SYSTEMS BIOLOGY (US) 2010-08-26 — — 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 (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-20100216180-A1 METHODS OF USING HALOGENATED PEPTIDES AS INTERNAL STANDARDS FOR LIQUID CHROMATOGRAPHY-MASS SPECTROMETRY PTMS, VIP, SRMS FURIN 698/4885OPRK1 4195/4885NPY4R 1119/4885

“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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