SCHEMBL14479441

SCHEMBL14479441

CN[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 8/20 0.54
▸ TFPI P10646 1/20 0.54
▸ SCTR P47872 1/20 0.54
▸ VIPR1 P32241 2/20 0.52
▸ NPY5R Q15761 3/20 0.51
▸ NPY1R P25929 2/20 0.51
▸ NPY4R P50391 2/20 0.51
▸ GCGR P47871 2/20 0.51
▸ GIPR P48546 1/20 0.51
▸ NR3C1 P04150 4/20 0.51
▸ VIPR2 P41587 2/20 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
SCHEMBL16976068 0.94 TFPI (0.59) GLP1RTFPISCTRVIPR1NPY5R
SCHEMBL14479450 0.94 TFPI (0.59) GLP1RTFPISCTRVIPR1NPY5R
SCHEMBL14479397 0.93 NPY5R (0.55) GLP1RTFPISCTRVIPR1NPY5R
SCHEMBL14479435 0.93 TFPI (0.58) GLP1RTFPISCTRNPY5RNPY1R
SCHEMBL14479338 0.93 GLP1R (0.53) GLP1RTFPISCTRVIPR1NPY5R
SCHEMBL14479324 0.91 TFPI (0.60) GLP1RTFPIVIPR1NPY5RNPY1R
SCHEMBL16976113 0.91 TFPI (0.61) GLP1RTFPIVIPR1NPY5RNPY1R
SCHEMBL15185894 0.91 GLP1R (0.61) GLP1RSCTRNPY5RNPY1RNPY4R
SCHEMBL16976087 0.90 NPY4R (0.57) NPY5RNPY1RNPY4R
SCHEMBL30511757 0.90 GLP1R (0.58) GLP1RTFPISCTRVIPR1GCGR

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-9155795-B2 CXCR4 receptor compounds ANCHOR THERAPEUTICS, INC. (US) 2015-10-13 — — US disclosed
US-20130005944-A1 CXCR4 Receptor Compounds ACER THERAPEUTICS INC. 2013-01-03 — — 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-20130005944-A1 CXCR4 Receptor Compounds CXCL12, CXCR4, CCR5 GLP1R 85/4885TFPI 1747/4885SCTR 60/4885

“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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