SCHEMBL21286619

SCHEMBL21286619

CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCCN)C(=O)N1CCC(N)(C(=O)O)CC1

nearest known ligand 0.98

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 20/20 0.98
▸ OPRM1 P35372 3/20 0.81

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
SCHEMBL23841287 1.00 OPRK1 (0.98) OPRK1OPRM1
Difelikefalin SCHEMBL18807719 0.99 OPRK1 (1.00) OPRK1OPRM1
Difelikefalin SCHEMBL19040667 0.99 OPRK1 (1.00) OPRK1OPRM1
Difelikefalin SCHEMBL10316464 0.99 OPRK1 (1.00) OPRK1OPRM1
Difelikefalin SCHEMBL25386632 0.99 OPRK1 (1.00) OPRK1OPRM1
Difelikefalin SCHEMBL18807720 0.99 OPRK1 (1.00) OPRK1OPRM1
Difelikefalin SCHEMBL18807733 0.99 OPRK1 (1.00) OPRK1OPRM1
Difelikefalin SCHEMBL20669281 0.99 OPRK1 (1.00) OPRK1OPRM1
Difelikefalin SCHEMBL18807843 0.99 OPRK1 (1.00) OPRK1OPRM1
Difelikefalin SCHEMBL29993987 0.98 OPRK1 (0.98) OPRK1OPRM1

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-20220305074-A1 PEPTIDE AMIDE COMPOSITION AND PREPARATION METHOD THEREFOR SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2022-09-29 — — US disclosed
US-11083726-B2 Methods and compositions for treating vasomotor symptoms UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2021-08-10 — — US disclosed
US-20210030745-A9 Methods and Compositions for Treating Vasomotor Symptoms ACER THERAPEUTICS INC. 2021-02-04 — — US disclosed
US-20190255037-A1 Methods and Compositions for Treating Vasomotor Symptoms UNIV WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2019-08-22 — — 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 (4 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-20210030745-A9 Methods and Compositions for Treating Vasomotor Symptoms VASP, PDE3A, PDE2A OPRK1 554/4885OPRM1 814/4885
US-20190255037-A1 Methods and Compositions for Treating Vasomotor Symptoms VASP, PDE3A, PDE2A OPRK1 554/4885OPRM1 814/4885
US-11083726-B2 Methods and compositions for treating vasomotor symptoms VASP, PDE3A, PDE2A OPRK1 554/4885OPRM1 814/4885
US-20220305074-A1 PEPTIDE AMIDE COMPOSITION AND PREPARATION METHOD THEREFOR VIP, NGLY1, IAPP OPRK1 4043/4885OPRM1 3529/4885

“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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