SCHEMBL31680253

SCHEMBL31680253

N=C(N)NCCC[C@H](N)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.61
▸ TUBB4A P04350 1/20 0.56
▸ TUBB P07437 1/20 0.56
▸ TUBA3C P0DPH7 1/20 0.56
▸ TUBA1B P68363 1/20 0.56
▸ TUBA4A P68366 1/20 0.56
▸ TUBB4B P68371 1/20 0.56
▸ TUBB3 Q13509 1/20 0.56
▸ TUBB2A Q13885 1/20 0.56
▸ TUBB8 Q3ZCM7 1/20 0.56
▸ TUBA3E Q6PEY2 1/20 0.56
▸ TUBA1A Q71U36 1/20 0.56
▸ TUBA1C Q9BQE3 1/20 0.56
▸ TUBB6 Q9BUF5 1/20 0.56
▸ TUBB2B Q9BVA1 1/20 0.56
▸ TUBB1 Q9H4B7 1/20 0.56
▸ NPY2R P49146 4/20 0.54
▸ NPY1R P25929 3/20 0.54
▸ NPY4R P50391 3/20 0.54
▸ GHSR Q92847 7/20 0.54

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
SCHEMBL29461985 0.97 TUBB4A (0.58) C5AR1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL30518069 0.95 C5AR1 (0.59) C5AR1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL31680254 0.95 C5AR1 (0.58) C5AR1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29540716 0.95 C5AR1 (0.58) C5AR1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL30132314 0.95 TUBB4A (0.57) C5AR1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29641170 0.95 TUBB4A (0.57) C5AR1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29540710 0.95 C5AR1 (0.58) C5AR1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL31680266 0.94 GHSR (0.60) C5AR1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL30518100 0.94 C5AR1 (0.63) C5AR1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29641153 0.94 C5AR1 (0.58) C5AR1TUBB4ATUBBTUBA3CTUBA1B

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-20250276116-A1 METHODS OF MITIGATING MYOCARDIAL DAMAGE DUE TO EXTRACORPOREAL MEMBRANE OXYGENATION TUFTS MEDICAL CENTER, INC. 2025-09-04 — — 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-20250276116-A1 METHODS OF MITIGATING MYOCARDIAL DAMAGE DUE TO EXTRACORPOREAL MEMBRANE OXYGENATION TNNI3, TNNT2, MB C5AR1 576/4885TUBB4A 2163/4885TUBB 2056/4885

“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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