SCHEMBL31091329

SCHEMBL31091329

N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](N)Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 2/20 0.48
▸ C5AR1 P21730 1/20 0.47
▸ MC4R P32245 2/20 0.47
▸ CTSL P07711 3/20 0.46
▸ CTSS P25774 3/20 0.46
▸ CTSK P43235 3/20 0.46
▸ CTSH P09668 1/20 0.46
▸ KISS1R Q969F8 1/20 0.46
▸ TUBB4A P04350 1/20 0.46
▸ TUBB P07437 1/20 0.46
▸ TUBA3C P0DPH7 1/20 0.46
▸ TUBA1B P68363 1/20 0.46
▸ TUBA4A P68366 1/20 0.46
▸ TUBB4B P68371 1/20 0.46
▸ TUBB3 Q13509 1/20 0.46
▸ TUBB2A Q13885 1/20 0.46
▸ TUBB8 Q3ZCM7 1/20 0.46
▸ TUBA3E Q6PEY2 1/20 0.46
▸ TUBA1A Q71U36 1/20 0.46
▸ TUBA1C Q9BQE3 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
SCHEMBL31555133 0.95 MC4R (0.52) GHSRC5AR1MC4RKISS1RTUBB4A
SCHEMBL29419550 0.95 MC4R (0.52) GHSRC5AR1MC4RKISS1RTUBB4A
SCHEMBL29419493 0.95 MC4R (0.52) GHSRC5AR1MC4RKISS1RTUBB4A
SCHEMBL31091318 0.94 C5AR1 (0.48) C5AR1MC4RCTSLCTSSCTSK
SCHEMBL30878109 0.94 GHSR (0.54) GHSRC5AR1MC4RKISS1RTUBB4A
SCHEMBL30878110 0.94 GHSR (0.53) GHSRC5AR1MC4RKISS1RTUBB4A
SCHEMBL30878115 0.93 GHSR (0.57) GHSRC5AR1TUBB4ATUBBTUBA3C
SCHEMBL30878116 0.93 GHSR (0.52) GHSRC5AR1MC4RKISS1RTUBB4A
SCHEMBL31732172 0.93 CTSL (0.51) GHSRC5AR1MC4RCTSLCTSS
SCHEMBL31257022 0.93 C5AR1 (0.49) GHSRC5AR1MC4RCTSLCTSS

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-20240350577-A1 METHODS AND COMPOSITIONS FOR PREVENTING OR TREATING DOMINANT OPTIC ATROPHY STEALTH BIOTHERAPEUTICS INC. (US) 2024-10-24 — — 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-20240350577-A1 METHODS AND COMPOSITIONS FOR PREVENTING OR TREATING DOMINANT OPTIC ATROPHY CRYAA, CRYAB, PRPH GHSR 947/4885C5AR1 760/4885MC4R 1534/4885

“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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