SCHEMBL197746

SCHEMBL197746

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN)C(=O)N1CCC(Oc2ccccc2)[C@H]1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 9/20 0.54
▸ OPRK1 P41145 9/20 0.54
▸ APLNR P35414 2/20 0.51
▸ CTSL P07711 3/20 0.48
▸ CTSS P25774 3/20 0.48
▸ CTSK P43235 3/20 0.48
▸ CTSH P09668 1/20 0.48
▸ MC4R P32245 1/20 0.47
▸ NMUR2 Q9GZQ4 2/20 0.47
▸ NMUR1 Q9HB89 2/20 0.47
▸ C5AR1 P21730 1/20 0.45

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
SCHEMBL1028505 0.94 OPRM1 (0.56) OPRM1OPRK1APLNRCTSLCTSS
SCHEMBL197807 0.93 OPRM1 (0.53) OPRM1OPRK1APLNRCTSLCTSS
SCHEMBL191933 0.92 APLNR (0.49) OPRM1OPRK1APLNRCTSLCTSS
SCHEMBL1028619 0.90 OPRM1 (0.54) OPRM1OPRK1APLNRCTSLCTSS
SCHEMBL1030624 0.88 OPRM1 (0.55) OPRM1OPRK1APLNRMC4RC5AR1
SCHEMBL198945 0.88 APLNR (0.53) OPRM1OPRK1APLNRCTSLCTSS
SCHEMBL1028425 0.86 OPRM1 (0.51) OPRM1OPRK1APLNRCTSLCTSS
SCHEMBL198097 0.86 APLNR (0.51) OPRM1OPRK1APLNRCTSLCTSS
SCHEMBL198762 0.86 OPRM1 (0.43) OPRM1OPRK1APLNRCTSLCTSS
SCHEMBL1029282 0.86 OPRM1 (0.52) OPRM1OPRK1APLNRCTSLCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088890-B2 Peptides and peptidomimetic compounds, the manufacturing thereof as well as their use for preparing a therapeutically and/or preventively active pharmaceutical composition FIBREX MEDICAL RESEARCH & DEVELOPMENT GMBH (AT) 2012-01-03 — — US disclosed
US-20100081787-A1 PEPTIDES AND PEPTIDOMIMETIC COMPOUNDS, THE MANUFACTURING THEREOF AS WELL AS THEIR USE FOR PREPARING A THERAPEUTICALLY AND/OR PREVENTIVELY ACTIVE PHARMACEUTICAL COMPOSITION FIBREX MEDICAL RESEARCH & DEVELOPMENT GMBH (AT) 2010-04-01 — — 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-20100081787-A1 PEPTIDES AND PEPTIDOMIMETIC COMPOUNDS, THE MANUFACTURING THEREOF AS WELL AS THEIR USE FOR PREPARING A THERAPEUTICALLY AND/OR PREVENTIVELY ACTIVE PHARMACEUTICAL COMPOSITION NGLY1, GHRHR, GHSR OPRM1 617/4885OPRK1 855/4885APLNR 70/4885

“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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