SCHEMBL18413052

SCHEMBL18413052

CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCNC(=N)N)C(=O)N1CCCOCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 13/20 0.57
▸ PSMB5 P28074 4/20 0.49
▸ PSMB11 A5LHX3 2/20 0.49
▸ PSMA7 O14818 2/20 0.49
▸ PSMB1 P20618 2/20 0.49
▸ PSMA1 P25786 2/20 0.49
▸ PSMA2 P25787 2/20 0.49
▸ PSMA3 P25788 2/20 0.49
▸ PSMA4 P25789 2/20 0.49
▸ PSMB8 P28062 2/20 0.49
▸ PSMB9 P28065 2/20 0.49
▸ PSMA5 P28066 2/20 0.49
▸ PSMB4 P28070 2/20 0.49
▸ PSMB6 P28072 2/20 0.49
▸ PSMB10 P40306 2/20 0.49
▸ PSMB3 P49720 2/20 0.49
▸ PSMB2 P49721 2/20 0.49
▸ PSMA6 P60900 2/20 0.49
▸ PSMA8 Q8TAA3 2/20 0.49
▸ PSMB7 Q99436 2/20 0.49

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
SCHEMBL11927496 0.95 OPRK1 (0.60) OPRK1NPY4RNPY1RNPY2RNPY5R
SCHEMBL11927495 0.92 OPRK1 (0.55) OPRK1PSMB5PSMB11PSMA7PSMB1
SCHEMBL20363366 0.90 OPRK1 (0.49) OPRK1PSMB5PSMB8
SCHEMBL10316471 0.90 OPRK1 (0.59) OPRK1NPY4RNPY1RNPY2RNPY5R
SCHEMBL13290914 0.90 OPRK1 (0.59) OPRK1NPY4RNPY1RNPY2RNPY5R
SCHEMBL22957113 0.88 TMPRSS11D (0.52) OPRK1PSMB5PSMB11PSMA7PSMB1
SCHEMBL20363353 0.88 OPRK1 (0.57) OPRK1NPY4RNPY1RNPY2RNPY5R
SCHEMBL21886333 0.88 OPRK1 (0.72) OPRK1PSMB5
SCHEMBL11927500 0.88 OPRK1 (0.72) OPRK1PSMB5
SCHEMBL11927499 0.88 OPRK1 (0.70) OPRK1PSMB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017536-B2 Synthetic peptide amides and dimers thereof CARA THERAPEUTICS, INC. (US) 2018-07-10 — — US disclosed
US-20170020855-A1 Methods and Compositions for Treating Vasomotor Symptoms UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION 2017-01-26 — — 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 (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-20170020855-A1 Methods and Compositions for Treating Vasomotor Symptoms VASP, PDE3A, PDE2A OPRK1 554/4885PSMB5 4100/4885PSMB11 4679/4885
US-10017536-B2 Synthetic peptide amides and dimers thereof OPRK1, OPRL1, OPRM1 OPRK1 1/4885PSMB5 992/4885PSMB11 1574/4885

“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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