SCHEMBL14479344

SCHEMBL14479344

CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)CCCNC(=N)N)[C@@H](C)O)C(N)=O

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 10/20 0.61
▸ OPRK1 P41145 10/20 0.61
▸ MAPK8 P45983 1/20 0.55
▸ MAPK9 P45984 1/20 0.55
▸ MAPK10 P53779 1/20 0.55
▸ CALCRL Q16602 1/20 0.55
▸ KEAP1 Q14145 2/20 0.55
▸ KDM1A O60341 1/20 0.54
▸ TFPI P10646 2/20 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
SCHEMBL14479372 0.95 KDM1A (0.58) OPRM1OPRK1KEAP1KDM1ATFPI
SCHEMBL14479366 0.92 OPRM1 (0.61) OPRM1OPRK1KEAP1TFPI
SCHEMBL14479341 0.91 KDM1A (0.59) OPRM1OPRK1KEAP1KDM1ATFPI
SCHEMBL14479365 0.90 KDM1A (0.61) OPRM1OPRK1KEAP1KDM1ATFPI
SCHEMBL14479433 0.90 OPRM1 (0.64) OPRM1OPRK1KEAP1KDM1ATFPI
SCHEMBL17166400 0.89 KDM1A (0.59) OPRM1OPRK1KEAP1KDM1ATFPI
SCHEMBL14479402 0.89 KDM1A (0.60) OPRM1OPRK1KEAP1KDM1ATFPI
SCHEMBL14479411 0.87 KDM1A (0.60) KEAP1KDM1ATFPI
SCHEMBL14479334 0.87 KISS1R (0.68) —
SCHEMBL14479415 0.87 KDM1A (0.56) OPRM1OPRK1KEAP1KDM1ATFPI

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 OPRM1 393/4885OPRK1 160/4885MAPK8 2127/4885

“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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