SCHEMBL21286573

SCHEMBL21286573

C/N=C(/N)N1CCCN(C(=O)[C@@H](CCCN)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CCc2ccccc2)NC(=O)[C@H](N)Cc2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 19/20 0.61
▸ OPRM1 P35372 2/20 0.51
▸ KISS1R Q969F8 1/20 0.48

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
SCHEMBL11931220 0.95 OPRK1 (0.68) OPRK1OPRM1
SCHEMBL19249651 0.95 OPRK1 (0.68) OPRK1OPRM1
SCHEMBL21286484 0.91 OPRK1 (0.62) OPRK1OPRM1
SCHEMBL21886318 0.89 OPRK1 (0.61) OPRK1OPRM1
SCHEMBL13670338 0.88 OPRK1 (0.69) OPRK1OPRM1
SCHEMBL24360679 0.86 OPRK1 (0.62) OPRK1OPRM1
SCHEMBL24360678 0.86 OPRK1 (0.62) OPRK1OPRM1
SCHEMBL20363371 0.86 OPRK1 (0.62) OPRK1OPRM1
SCHEMBL24360479 0.86 OPRK1 (0.64) OPRK1OPRM1
SCHEMBL11931971 0.85 OPRK1 (0.69) 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-20210346505-A1 Oral Formulations of Kappa Opioid Receptor Agonists CARA THERAPEUTICS, INC. 2021-11-11 — — 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-20210346505-A1 Oral Formulations of Kappa Opioid Receptor Agonists OPRK1, OPRL1, OGFR OPRK1 1/4885OPRM1 5/4885KISS1R 694/4885
US-20210030745-A9 Methods and Compositions for Treating Vasomotor Symptoms VASP, PDE3A, PDE2A OPRK1 554/4885OPRM1 814/4885KISS1R 1051/4885
US-20190255037-A1 Methods and Compositions for Treating Vasomotor Symptoms VASP, PDE3A, PDE2A OPRK1 554/4885OPRM1 814/4885KISS1R 1051/4885
US-11083726-B2 Methods and compositions for treating vasomotor symptoms VASP, PDE3A, PDE2A OPRK1 554/4885OPRM1 814/4885KISS1R 1051/4885

“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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