SCHEMBL21286531

SCHEMBL21286531

CC(C)C[C@@H](NC(=O)[C@@H](CCc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCNC(=N)N)C(=O)N1CCC(N2CCC[C@H]2C(=O)O)CC1

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 16/20 0.76
▸ MMP1 P03956 1/20 0.43
▸ MMP3 P08254 1/20 0.43
▸ OPRM1 P35372 2/20 0.42
▸ NPY4R P50391 3/20 0.42
▸ NPY1R P25929 2/20 0.42
▸ NPY2R P49146 2/20 0.42
▸ NPY5R Q15761 2/20 0.42

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
SCHEMBL21886568 0.95 OPRK1 (0.77) OPRK1MMP1MMP3OPRM1NPY4R
SCHEMBL10316378 0.95 OPRK1 (0.84) OPRK1OPRM1NPY4RNPY1RNPY2R
SCHEMBL21886398 0.94 OPRK1 (0.72) OPRK1MMP1MMP3
SCHEMBL21233384 0.92 OPRK1 (0.90) OPRK1MMP1MMP3OPRM1
SCHEMBL21286624 0.91 OPRK1 (0.81) OPRK1OPRM1NPY4RNPY1RNPY2R
SCHEMBL13290881 0.91 OPRK1 (0.77) OPRK1OPRM1NPY4RNPY1RNPY2R
SCHEMBL10316475 0.91 OPRK1 (0.85) OPRK1OPRM1NPY4RNPY1RNPY2R
SCHEMBL18413282 0.90 OPRK1 (0.83) OPRK1OPRM1NPY4RNPY1RNPY2R
SCHEMBL21886406 0.89 OPRK1 (0.86) OPRK1MMP1MMP3OPRM1
SCHEMBL21886569 0.88 OPRK1 (0.90) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-11033629-B2 Oral formulations of kappa opioid receptor agonists CARA THERAPEUTICS, INC. (US) 2021-06-15 — — US disclosed
US-20210030745-A9 Methods and Compositions for Treating Vasomotor Symptoms ACER THERAPEUTICS INC. 2021-02-04 — — US disclosed
US-20200085961-A1 Oral Formulations of Kappa Opioid Receptor Agonists CARA THERAPEUTICS, INC. 2020-03-19 — — 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 (5 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 554/4885MMP1 1496/4885MMP3 1607/4885
US-20190255037-A1 Methods and Compositions for Treating Vasomotor Symptoms VASP, PDE3A, PDE2A OPRK1 554/4885MMP1 1496/4885MMP3 1607/4885
US-11083726-B2 Methods and compositions for treating vasomotor symptoms VASP, PDE3A, PDE2A OPRK1 554/4885MMP1 1496/4885MMP3 1607/4885
US-11033629-B2 Oral formulations of kappa opioid receptor agonists OPRK1, OPRL1, OGFR OPRK1 1/4885MMP1 2389/4885MMP3 2242/4885
US-20200085961-A1 Oral Formulations of Kappa Opioid Receptor Agonists OPRK1, OPRL1, OGFR OPRK1 1/4885MMP1 2389/4885MMP3 2242/4885

“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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