SCHEMBL21286543

SCHEMBL21286543

CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CC(=N)N)C(=O)NC1(C(=O)O)CCN(C(=O)[C@@H](CNC(=N)N)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CCc2ccccc2)NC(=O)[C@H](N)Cc2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 17/20 0.55
▸ OPRM1 P35372 1/20 0.46
▸ PSMB5 P28074 3/20 0.44
▸ PSMB11 A5LHX3 1/20 0.44
▸ PSMD11 O00231 1/20 0.44
▸ PSMD12 O00232 1/20 0.44
▸ PSMD14 O00487 1/20 0.44
▸ PSMA7 O14818 1/20 0.44
▸ PSMD3 O43242 1/20 0.44
▸ CTSB P07858 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ PSMC3 P17980 1/20 0.44
▸ PSMB1 P20618 1/20 0.44
▸ CYP3A5 P20815 1/20 0.44
▸ CYP3A7 P24462 1/20 0.44
▸ PSMA1 P25786 1/20 0.44
▸ PSMA2 P25787 1/20 0.44
▸ PSMA3 P25788 1/20 0.44
▸ PSMA4 P25789 1/20 0.44
▸ PSMB8 P28062 1/20 0.44

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
SCHEMBL19249338 0.96 OPRK1 (0.58) OPRK1OPRM1
SCHEMBL11931476 0.96 OPRK1 (0.58) OPRK1OPRM1
SCHEMBL22957114 0.94 OPRK1 (0.56) OPRK1OPRM1
SCHEMBL21886579 0.92 OPRK1 (0.58) OPRK1OPRM1
SCHEMBL17132175 0.91 OPRK1 (0.58) OPRK1OPRM1
SCHEMBL12317349 0.90 OPRK1 (0.59) OPRK1OPRM1
SCHEMBL21286615 0.90 OPRK1 (0.59) OPRK1OPRM1
SCHEMBL11931981 0.88 OPRK1 (0.62) OPRK1OPRM1
SCHEMBL25729800 0.87 OPRK1 (0.68) OPRK1OPRM1
SCHEMBL21886580 0.85 OPRK1 (0.63) 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 5/4885PSMB5 2240/4885
US-20210030745-A9 Methods and Compositions for Treating Vasomotor Symptoms VASP, PDE3A, PDE2A OPRK1 554/4885OPRM1 814/4885PSMB5 4100/4885
US-20190255037-A1 Methods and Compositions for Treating Vasomotor Symptoms VASP, PDE3A, PDE2A OPRK1 554/4885OPRM1 814/4885PSMB5 4100/4885
US-11083726-B2 Methods and compositions for treating vasomotor symptoms VASP, PDE3A, PDE2A OPRK1 554/4885OPRM1 814/4885PSMB5 4100/4885

“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.

Send feedback