SCHEMBL29464012

SCHEMBL29464012

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 19/20 0.69
IL23R Q5VWK5 1/20 0.55

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
SCHEMBL29520417 0.97 KISS1R (0.65) KISS1R
SCHEMBL29978342 0.95 KISS1R (0.63) KISS1R
SCHEMBL30276212 0.91 KISS1R (0.62) KISS1RIL23R
SCHEMBL30874654 0.91 KISS1R (0.57) KISS1R
SCHEMBL30823583 0.91 KISS1R (0.71) KISS1R
SCHEMBL29464013 0.90 NPY4R (0.55) KISS1R
SCHEMBL30168673 0.90 KISS1R (0.67) KISS1R
SCHEMBL31665973 0.90 GLP1R (0.65) KISS1RIL23R
SCHEMBL31314991 0.89 KISS1R (0.61) KISS1R
SCHEMBL29555876 0.89 GLP1R (0.60) KISS1RIL23R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3541402-B1 C3A RECEPTOR AGONISTS FOR USE AGAINST ISCHEMIC BRAIN INJURY PEKNA MARCELA (SE) 2022-07-20 EP claimed
US-20220152205-A1 MODULATING PERMEABILITY OF THE BLOOD CEREBROSPINAL FLUID BARRIER MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2022-05-19 US claimed
US-11266715-B2 C3A receptor agonists for use against ischemic brain injury, stroke, traumatic brain injury, spinal cord injury and neurodegenerative disorders PEKNA MARCELA (SE) 2022-03-08 US claimed
EP-3377104-B1 MODULATING PERMEABILITY OF THE BLOOD CEREBROSPINAL FLUID BARRIER MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2022-12-21 EP disclosed
EP-3541402-B1 C3A RECEPTOR AGONISTS FOR USE AGAINST ISCHEMIC BRAIN INJURY PEKNA MARCELA (SE) 2022-07-20 EP disclosed
CN-108472370-B Modulating blood cerebrospinal fluid barrier permeability 纪念斯隆-凯特琳癌症中心 2022-07-12 CN disclosed
US-20220152205-A1 MODULATING PERMEABILITY OF THE BLOOD CEREBROSPINAL FLUID BARRIER MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2022-05-19 US disclosed
US-11305014-B2 Modulating permeability of the blood cerebrospinal fluid barrier MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2022-04-19 US disclosed
US-11266715-B2 C3A receptor agonists for use against ischemic brain injury, stroke, traumatic brain injury, spinal cord injury and neurodegenerative disorders PEKNA MARCELA (SE) 2022-03-08 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 (2 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-11305014-B2 Modulating permeability of the blood cerebrospinal fluid barrier C3AR1, CFH, CSF3R KISS1R 1201/4885IL23R 522/4885
US-20220152205-A1 MODULATING PERMEABILITY OF THE BLOOD CEREBROSPINAL FLUID BARRIER C3AR1, CFH, CSF3R KISS1R 1201/4885IL23R 522/4885

“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.