SCHEMBL21286534

SCHEMBL21286534

CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CNC(=N)N)C(=O)N1CCC(N2CCCC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 14/20 0.61
▸ CHRM1 P11229 1/20 0.46
▸ KMT2A Q03164 1/20 0.45
▸ PSMB11 A5LHX3 2/20 0.44
▸ PSMA7 O14818 2/20 0.44
▸ PSMB1 P20618 2/20 0.44
▸ PSMA1 P25786 2/20 0.44
▸ PSMA2 P25787 2/20 0.44
▸ PSMA3 P25788 2/20 0.44
▸ PSMA4 P25789 2/20 0.44
▸ PSMB8 P28062 2/20 0.44
▸ PSMB9 P28065 2/20 0.44
▸ PSMA5 P28066 2/20 0.44
▸ PSMB4 P28070 2/20 0.44
▸ PSMB6 P28072 2/20 0.44
▸ PSMB5 P28074 2/20 0.44
▸ PSMB10 P40306 2/20 0.44
▸ PSMB3 P49720 2/20 0.44
▸ PSMB2 P49721 2/20 0.44
▸ PSMA6 P60900 2/20 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
SCHEMBL13290902 0.91 OPRK1 (0.59) OPRK1PSMB8PSMB9PSMB5PSMB10
SCHEMBL21883064 0.90 OPRK1 (0.68) OPRK1
SCHEMBL13290885 0.89 OPRK1 (0.72) OPRK1KMT2APSMB11PSMA7PSMB1
SCHEMBL11932315 0.89 OPRK1 (0.79) OPRK1KMT2APSMB11PSMA7PSMB1
SCHEMBL12317858 0.88 OPRK1 (0.58) OPRK1KMT2APSMB11PSMA7PSMB1
SCHEMBL10316406 0.87 OPRK1 (0.57) OPRK1
SCHEMBL13290894 0.87 OPRK1 (0.57) OPRK1
SCHEMBL11927495 0.85 OPRK1 (0.55) OPRK1PSMB11PSMA7PSMB1PSMA1
SCHEMBL10316470 0.85 OPRK1 (0.55) OPRK1
SCHEMBL11927494 0.85 OPRK1 (0.55) OPRK1

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 3 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-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 (3 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 554/4885CHRM1 152/4885KMT2A 3242/4885
US-20190255037-A1 Methods and Compositions for Treating Vasomotor Symptoms VASP, PDE3A, PDE2A OPRK1 554/4885CHRM1 152/4885KMT2A 3242/4885
US-11083726-B2 Methods and compositions for treating vasomotor symptoms VASP, PDE3A, PDE2A OPRK1 554/4885CHRM1 152/4885KMT2A 3242/4885

“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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