Sugi Predict

Sugi Predict / Compounds / SCHEMBL16508494

SCHEMBL16508494

SCHEMBL16508494

CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)CCC(N)=O)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 10/20 0.51
▸ OPRK1 P41145 10/20 0.51
▸ KDM1A O60341 2/20 0.48
▸ APLNR P35414 1/20 0.48
▸ TFPI P10646 3/20 0.46
▸ EPHA2 P29317 2/20 0.46
▸ NPY1R P25929 1/20 0.46
▸ NPY2R P49146 1/20 0.46
▸ NPY4R P50391 1/20 0.46
▸ NPY5R Q15761 1/20 0.46

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
SCHEMBL16508485 0.95 OPRM1 (0.51) OPRM1OPRK1KDM1AAPLNRTFPI
SCHEMBL16508575 0.94 OPRM1 (0.56) OPRM1OPRK1KDM1AAPLNR
SCHEMBL16508532 0.94 OPRM1 (0.47) OPRM1OPRK1KDM1AAPLNRTFPI
SCHEMBL16508551 0.94 OPRM1 (0.56) OPRM1OPRK1KDM1AAPLNR
SCHEMBL16508559 0.93 OPRM1 (0.49) OPRM1OPRK1KDM1AAPLNRTFPI
SCHEMBL16508585 0.91 OPRM1 (0.52) OPRM1OPRK1KDM1AAPLNR
SCHEMBL16508597 0.91 OPRM1 (0.53) OPRM1OPRK1KDM1AAPLNRTFPI
SCHEMBL16508555 0.91 OPRM1 (0.48) OPRM1OPRK1KDM1AAPLNRTFPI
SCHEMBL16508479 0.90 OPRM1 (0.51) OPRM1OPRK1APLNREPHA2
SCHEMBL16508531 0.90 OPRM1 (0.49) OPRM1OPRK1APLNREPHA2NPY1R

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-20110300167-A1 CXCR5 RECEPTOR COMPOUNDS ANCHOR THERAPEUTICS, INC. 2011-12-08 — — 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-20110300167-A1 CXCR5 RECEPTOR COMPOUNDS CXCR5, CXCR1, CCR5 OPRM1 1105/4885OPRK1 456/4885KDM1A 2959/4885

“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.