SCHEMBL14479336

SCHEMBL14479336

CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N1CCC[C@H]1C(=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 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.61
▸ TFPI P10646 6/20 0.60
▸ MC4R P32245 1/20 0.57
▸ MC5R P33032 1/20 0.57
▸ MC3R P41968 1/20 0.57
▸ MC1R Q01726 1/20 0.57
▸ OPRM1 P35372 6/20 0.56
▸ OPRK1 P41145 6/20 0.56
▸ MAOB P27338 1/20 0.56
▸ KDM5A P29375 1/20 0.56
▸ KDM1B Q8NB78 1/20 0.56
▸ NPY2R P49146 2/20 0.55
▸ NPY4R P50391 2/20 0.55
▸ NPY5R Q15761 2/20 0.55
▸ NPY1R P25929 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
SCHEMBL14479418 0.97 KDM1A (0.61) KDM1ATFPIOPRM1OPRK1MAOB
SCHEMBL14479371 0.95 KDM1A (0.60) KDM1ATFPIMC4RMC5RMC3R
SCHEMBL14479444 0.94 KDM1A (0.62) KDM1ATFPIMAOBKDM5AKDM1B
SCHEMBL16976105 0.93 KDM1A (0.61) KDM1ATFPIMAOBKDM5AKDM1B
SCHEMBL14479342 0.93 KDM1A (0.61) KDM1ATFPIMAOBKDM5AKDM1B
SCHEMBL14479329 0.93 KDM1A (0.61) KDM1ATFPIMAOBKDM5AKDM1B
SCHEMBL14479411 0.93 KDM1A (0.60) KDM1ATFPIMAOBKDM5AKDM1B
SCHEMBL14479427 0.93 KDM1A (0.60) KDM1ATFPIMAOBKDM5AKDM1B
SCHEMBL16976076 0.92 KDM1A (0.62) KDM1ATFPIOPRM1OPRK1MAOB
SCHEMBL14479434 0.91 KDM1A (0.61) KDM1ATFPIOPRM1OPRK1

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 KDM1A 4032/4885TFPI 1747/4885MC4R 1106/4885

“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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