SCHEMBL22957110

SCHEMBL22957110

CC(C)C[C@@H](NC(=O)[C@@H](CCc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCN)C(=O)NCCCC[C@@H](NC(=O)[C@H](N)CCCN)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 4/20 0.53
CPB1 P15086 1/20 0.51
CPB2 Q96IY4 1/20 0.51
KISS1R Q969F8 1/20 0.51
NPY4R P50391 5/20 0.51
NPY1R P25929 4/20 0.51
NPY2R P49146 3/20 0.51
NPY5R Q15761 2/20 0.51
CHRNB2 P17787 1/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA4 P43681 1/20 0.49
MMP3 P08254 2/20 0.48
MMP1 P03956 1/20 0.48
MMP9 P14780 1/20 0.47

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
SCHEMBL24360473 1.00 OPRK1 (0.53) OPRK1CPB1CPB2KISS1RNPY4R
SCHEMBL21286542 0.98 OPRK1 (0.54) OPRK1CPB1CPB2KISS1RNPY4R
SCHEMBL21886334 0.98 OPRK1 (0.54) OPRK1CPB1CPB2KISS1RNPY4R
SCHEMBL21886577 0.97 OPRK1 (0.55) OPRK1CPB1CPB2KISS1RCHRNB2
SCHEMBL24001215 0.97 OPRK1 (0.55) OPRK1CPB1CPB2KISS1RNPY4R
SCHEMBL24001211 0.97 OPRK1 (0.53) OPRK1CPB1CPB2KISS1RNPY4R
SCHEMBL24360489 0.97 OPRK1 (0.53) OPRK1CPB1CPB2KISS1RNPY4R
SCHEMBL21286495 0.97 OPRK1 (0.57) OPRK1CPB1CPB2KISS1RNPY4R
SCHEMBL21886320 0.97 OPRK1 (0.53) OPRK1CPB1CPB2KISS1RNPY4R
SCHEMBL21886319 0.97 OPRK1 (0.57) OPRK1CPB1CPB2KISS1RNPY4R

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-11684674-B2 Oral formulations of kappa opioid receptor agonists CARA THERAPEUTICS, INC. (US) 2023-06-27 US disclosed
US-20220125781-A1 Methods and Compositions for Treating Vasomotor Symptoms UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION 2022-04-28 US disclosed
US-20210346505-A1 Oral Formulations of Kappa Opioid Receptor Agonists CARA THERAPEUTICS, INC. 2021-11-11 US disclosed
US-10913769-B2 Synthetic peptide amides and dimers thereof CARA THERAPEUTICS, INC. (US) 2021-02-09 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 1/4885CPB1 3830/4885CPB2 3858/4885
US-10913769-B2 Synthetic peptide amides and dimers thereof OPRK1, OPRL1, OPRM1 OPRK1 1/4885CPB1 582/4885CPB2 514/4885
US-20220125781-A1 Methods and Compositions for Treating Vasomotor Symptoms VASP, PDE3A, PDE2A OPRK1 554/4885CPB1 1389/4885CPB2 943/4885
US-11684674-B2 Oral formulations of kappa opioid receptor agonists OPRK1, OPRL1, OGFR OPRK1 1/4885CPB1 3830/4885CPB2 3858/4885

“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.