SCHEMBL1371080

SCHEMBL1371080

CC(C)C[C@H](NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)CN(C)C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 8/20 0.48
▸ OPRM1 P35372 4/20 0.48
▸ OPRK1 P41145 2/20 0.48
▸ NPY4R P50391 7/20 0.45
▸ NPY1R P25929 5/20 0.45
▸ NPY2R P49146 5/20 0.45
▸ NPY5R Q15761 5/20 0.45
▸ MMP2 P08253 1/20 0.45

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
SCHEMBL31222411 0.90 NPY4R (0.61) NPY4RNPY1RNPY2RNPY5R
SCHEMBL31222383 0.90 NPY4R (0.61) NPY4RNPY1RNPY2RNPY5R
SCHEMBL1372389 0.89 OPRD1 (0.55) OPRD1OPRM1OPRK1MMP2
SCHEMBL27849221 0.87 OPRD1 (0.44) OPRD1OPRM1OPRK1NPY4RNPY1R
SCHEMBL11682692 0.84 OPRD1 (0.62) OPRD1OPRM1OPRK1
SCHEMBL31222364 0.83 FOLH1 (0.48) OPRD1OPRM1NPY4RNPY1RNPY2R
SCHEMBL27849228 0.82 OPRD1 (0.48) OPRD1OPRM1OPRK1NPY4RNPY1R
SCHEMBL31222372 0.81 NPY4R (0.64) NPY4RNPY1RNPY2RNPY5R
SCHEMBL31222361 0.81 NPY4R (0.64) NPY4RNPY1RNPY2RNPY5R
SCHEMBL31222375 0.80 NPY4R (0.68) NPY4RNPY1RNPY2RNPY5R

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-20160263235-A1 PEPTIDE THERAPEUTIC CONJUGATES AND USES THEREOF ANGIOCHEM INC (CA) 2016-09-15 — — US disclosed
EP-2794663-A1 PEPTIDE THERAPEUTIC CONJUGATES AND USES THEREOF Angiochem Inc. (CA) 2014-10-29 — — EP disclosed
US-20110288011-A1 PEPTIDE THERAPEUTIC CONJUGATES AND USES THEREOF ANGIOCHEM INC. (CA) 2011-11-24 — — US disclosed
WO-2010063124-A1 PEPTIDE THERAPEUTIC CONJUGATES AND USES THEREOF ANGIOCHEM INC. (CA) 2010-06-10 — — 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-20160263235-A1 PEPTIDE THERAPEUTIC CONJUGATES AND USES THEREOF VIP, SLC1A5, SLC47A1 OPRD1 4036/4885OPRM1 3822/4885OPRK1 3911/4885
US-20110288011-A1 PEPTIDE THERAPEUTIC CONJUGATES AND USES THEREOF VIP, SLC1A5, SLC47A1 OPRD1 4036/4885OPRM1 3822/4885OPRK1 3911/4885

“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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