SCHEMBL15328329

SCHEMBL15328329

C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNc1ncc(C=O)s1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 7/20 0.49
OPRM1 P35372 6/20 0.49
OPRK1 P41145 1/20 0.49
HRH1 P35367 3/20 0.49
HPGDS O60760 1/20 0.44
NPY5R Q15761 3/20 0.43
NPY1R P25929 2/20 0.43
NPY4R P50391 2/20 0.43
ACE P12821 1/20 0.43

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
SCHEMBL15328333 1.00 OPRD1 (0.49) OPRD1OPRM1OPRK1HRH1HPGDS
SCHEMBL15328396 0.93 NPY5R (0.41) OPRD1OPRM1OPRK1HRH1HPGDS
SCHEMBL15328397 0.93 NPY5R (0.41) OPRD1OPRM1OPRK1HRH1HPGDS
SCHEMBL15328796 0.93 ACE (0.42) OPRD1OPRM1OPRK1HRH1HPGDS
SCHEMBL15328788 0.93 ACE (0.42) OPRD1OPRM1OPRK1HRH1HPGDS
SCHEMBL15328393 0.92 OPRD1 (0.49) OPRD1OPRM1OPRK1HRH1
SCHEMBL15328485 0.88 OPRD1 (0.50) OPRD1OPRM1OPRK1HRH1NPY5R
SCHEMBL15328483 0.88 OPRD1 (0.50) OPRD1OPRM1OPRK1HRH1NPY5R
SCHEMBL17206841 0.88 OPRD1 (0.46) OPRD1OPRM1OPRK1NPY5RNPY1R
SCHEMBL17082283 0.88 OPRD1 (0.46) OPRD1OPRM1OPRK1NPY5RNPY1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9169295-B2 Macrocycles and macrocycle stabilized peptides BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-27 US disclosed
US-9169295-B2 Macrocycles and macrocycle stabilized peptides BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-27 US disclosed
EP-2627662-B1 METHODS FOR PREPARING MACROCYCLES AND MACROCYCLE STABILIZED PEPTIDES BRISTOL MYERS SQUIBB CO (US) 2015-09-16 EP disclosed
EP-2627662-B1 METHODS FOR PREPARING MACROCYCLES AND MACROCYCLE STABILIZED PEPTIDES BRISTOL MYERS SQUIBB CO (US) 2015-09-16 EP disclosed
US-20130281657-A1 MACROCYCLES AND MACROCYCLE STABILIZED PEPTIDES BRISTOL-MYERS SQUIBB COMPANY (US) 2013-10-24 US disclosed
US-20130281657-A1 MACROCYCLES AND MACROCYCLE STABILIZED PEPTIDES BRISTOL-MYERS SQUIBB COMPANY (US) 2013-10-24 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-20130281657-A1 MACROCYCLES AND MACROCYCLE STABILIZED PEPTIDES PTMS, VIP, MTPN OPRD1 4530/4885OPRM1 4478/4885OPRK1 4371/4885

“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.