SCHEMBL29464013

SCHEMBL29464013

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)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 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 9/20 0.55
NPY1R P25929 7/20 0.55
NPY5R Q15761 6/20 0.55
NPY2R P49146 3/20 0.55
KISS1R Q969F8 5/20 0.54
OPRM1 P35372 1/20 0.51
OPRD1 P41143 1/20 0.51
OPRK1 P41145 1/20 0.51

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
SCHEMBL29601949 0.97 NPY4R (0.58) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL29520335 0.95 NPY4R (0.64) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL29520318 0.92 KISS1R (0.51) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL29540098 0.91 NPY4R (0.49) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL23405249 0.91 NPY4R (0.64) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL23405252 0.91 NPY4R (0.64) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL30570978 0.90 KISS1R (0.56) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL31222396 0.90 NPY4R (0.66) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL29464012 0.90 KISS1R (0.69) KISS1R
SCHEMBL29462563 0.89 NPY4R (0.52) NPY4RNPY1RNPY5RNPY2RKISS1R

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 NPY4R 1578/4885NPY1R 1590/4885NPY5R 1418/4885
US-20220152205-A1 MODULATING PERMEABILITY OF THE BLOOD CEREBROSPINAL FLUID BARRIER C3AR1, CFH, CSF3R NPY4R 1578/4885NPY1R 1590/4885NPY5R 1418/4885

“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.