SCHEMBL29707516

SCHEMBL29707516

CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](N)CS)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.61
▸ CXCR4 P61073 6/20 0.57
▸ IL23R Q5VWK5 1/20 0.56
▸ TACR1 P25103 1/20 0.55
▸ MC4R P32245 2/20 0.54
▸ MC5R P33032 2/20 0.54
▸ MC3R P41968 2/20 0.54
▸ MC1R Q01726 2/20 0.54
▸ OPRM1 P35372 1/20 0.53
▸ OPRD1 P41143 1/20 0.53
▸ GLP1R P43220 6/20 0.53
▸ GIPR P48546 6/20 0.53

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
SCHEMBL29707517 0.99 C5AR1 (0.61) C5AR1CXCR4IL23RTACR1MC4R
SCHEMBL29707518 0.97 C5AR1 (0.61) C5AR1CXCR4IL23RTACR1GLP1R
SCHEMBL31119411 0.97 C5AR1 (0.61) C5AR1CXCR4IL23RTACR1GLP1R
SCHEMBL29707519 0.94 C5AR1 (0.56) C5AR1CXCR4IL23RTACR1GLP1R
SCHEMBL29707524 0.93 C5AR1 (0.56) C5AR1CXCR4IL23RTACR1GLP1R
SCHEMBL29706312 0.86 CXCR4 (0.62) C5AR1CXCR4IL23RMC4RMC5R
SCHEMBL29973187 0.85 CXCR4 (0.56) C5AR1CXCR4IL23RMC4RMC5R
SCHEMBL31433280 0.85 CXCL8 (0.56) C5AR1CXCR4IL23RTACR1MC4R
SCHEMBL30665991 0.84 CXCR4 (0.60) C5AR1CXCR4TACR1OPRM1OPRD1
SCHEMBL31357810 0.84 DPP3 (0.57) IL23RTACR1OPRM1OPRD1

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-20240299566-A1 POLY-ARGININE DERIVATIVES FOR ENHANCING BRAIN-DERIVED GROWTH FACTOR TO MITIGATE NEUROLOGICAL DISORDERS BROWN UNIVERSITY 2024-09-12 — — US disclosed
WO-2022150362-A1 POLY-ARGININE DERIVATIVES FOR ENHANCING BRAIN-DERIVED GROWTH FACTOR TO MITIGATE NEUROLOGICAL DISORDERS MARSHALL JOHN (US) 2022-07-14 — — WO 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-20240299566-A1 POLY-ARGININE DERIVATIVES FOR ENHANCING BRAIN-DERIVED GROWTH FACTOR TO MITIGATE NEUROLOGICAL DISORDERS PSD, BDNF, ARGLU1 C5AR1 3791/4885CXCR4 2845/4885IL23R 2128/4885

“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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