SCHEMBL21886578

SCHEMBL21886578

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

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 5/20 0.54
KISS1R Q969F8 6/20 0.53
CPB1 P15086 1/20 0.51
CPB2 Q96IY4 1/20 0.51
NPY4R P50391 4/20 0.49
NPY1R P25929 3/20 0.49
NPY2R P49146 3/20 0.49
NPY5R Q15761 2/20 0.49
MMP1 P03956 1/20 0.48
MMP3 P08254 1/20 0.48
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 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
SCHEMBL21886319 0.97 OPRK1 (0.57) OPRK1KISS1RCPB1CPB2NPY4R
SCHEMBL21286495 0.97 OPRK1 (0.57) OPRK1KISS1RCPB1CPB2NPY4R
SCHEMBL23502217 0.97 OPRK1 (0.57) OPRK1KISS1RCPB1CPB2NPY4R
SCHEMBL25730222 0.97 OPRK1 (0.57) OPRK1KISS1RCPB1CPB2NPY4R
SCHEMBL20363350 0.96 OPRK1 (0.57) OPRK1KISS1RCPB1CPB2NPY4R
SCHEMBL24001215 0.96 OPRK1 (0.55) OPRK1KISS1RCPB1CPB2NPY4R
SCHEMBL21286542 0.96 OPRK1 (0.54) OPRK1KISS1RCPB1CPB2NPY4R
SCHEMBL21886334 0.96 OPRK1 (0.54) OPRK1KISS1RCPB1CPB2NPY4R
SCHEMBL21886577 0.95 OPRK1 (0.55) OPRK1KISS1RCPB1CPB2MMP1
SCHEMBL24360473 0.94 OPRK1 (0.53) OPRK1KISS1RCPB1CPB2NPY4R

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200085961-A1 Oral Formulations of Kappa Opioid Receptor Agonists CARA THERAPEUTICS, INC. 2020-03-19 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 (1 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-20200085961-A1 Oral Formulations of Kappa Opioid Receptor Agonists OPRK1, OPRL1, OGFR OPRK1 1/4885KISS1R 694/4885CPB1 3830/4885

“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.