SCHEMBL31050545

SCHEMBL31050545

CSCC[C@H](N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 1/20 0.53
▸ CTSL P07711 3/20 0.50
▸ CTSS P25774 3/20 0.50
▸ CTSK P43235 3/20 0.50
▸ CTSH P09668 1/20 0.50
▸ OPRM1 P35372 2/20 0.48
▸ OPRD1 P41143 2/20 0.48
▸ F2 P00734 4/20 0.47
▸ CRHR1 P34998 1/20 0.47
▸ CRHR2 Q13324 1/20 0.47
▸ CXCL8 P10145 5/20 0.46
▸ APLNR P35414 1/20 0.46
▸ CALCR P30988 2/20 0.46
▸ BDKRB2 P30411 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
SCHEMBL31050544 0.94 CTSL (0.53) MC4RCTSLCTSSCTSKCTSH
SCHEMBL7200318 0.89 CTSL (0.49) MC4RCTSLCTSSCTSKCTSH
SCHEMBL7200319 0.89 CTSL (0.49) MC4RCTSLCTSSCTSKCTSH
SCHEMBL30910841 0.83 CTSL (0.52) MC4RCTSLCTSSCTSKCTSH
SCHEMBL30366772 0.82 MC4R (0.47) MC4ROPRM1OPRD1F2BDKRB2
SCHEMBL30567437 0.82 OPRM1 (0.56) CTSLCTSSCTSKCTSHOPRM1
SCHEMBL30456911 0.82 APLNR (0.52) CTSLCTSSCTSKCTSHOPRM1
SCHEMBL29972919 0.81 F2 (0.55) MC4RCTSLCTSSCTSKCTSH
SCHEMBL31505801 0.81 CTSL (0.56) MC4RCTSLCTSSCTSKCTSH
SCHEMBL30969039 0.81 APLNR (0.55) CTSLCTSSCTSKCTSHF2

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-20240269226-A1 COMBINATION THERAPY WITH SEMAX AND CANNABIDIOL HALLSTAT CAPITAL, LLC 2024-08-15 — — US claimed
US-20240269226-A1 COMBINATION THERAPY WITH SEMAX AND CANNABIDIOL HALLSTAT CAPITAL, LLC 2024-08-15 — — 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-20240269226-A1 COMBINATION THERAPY WITH SEMAX AND CANNABIDIOL CNR2, CNR1, BAD MC4R 490/4885CTSL 2347/4885CTSS 3245/4885

“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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