SCHEMBL2543722

SCHEMBL2543722

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.47
KDM1A O60341 3/20 0.46
MAOB P27338 1/20 0.46
KDM5A P29375 1/20 0.46
KDM1B Q8NB78 1/20 0.46
C5AR1 P21730 1/20 0.46
NTSR2 O95665 3/20 0.45
NTSR1 P30989 3/20 0.45
SORT1 Q99523 3/20 0.45
EPHA2 P29317 2/20 0.45
CXCR4 P61073 2/20 0.44
OPRM1 P35372 2/20 0.44
OPRK1 P41145 2/20 0.44
RAMP3 O60896 3/20 0.44
CALCR P30988 3/20 0.44
NPY1R P25929 1/20 0.44
NPY2R P49146 1/20 0.44
NPY4R P50391 1/20 0.44
NPY5R Q15761 1/20 0.44

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
SCHEMBL2543718 1.00 F2 (0.47) F2KDM1AMAOBKDM5AKDM1B
SCHEMBL29887046 0.94 F2 (0.47) F2C5AR1NTSR2NTSR1SORT1
SCHEMBL29695570 0.91 F2 (0.52) F2NTSR2NTSR1SORT1CXCR4
SCHEMBL30844316 0.91 NPY2R (0.51) KDM1AMAOBKDM5AKDM1BC5AR1
SCHEMBL30844255 0.90 EPHA2 (0.50) F2KDM1AEPHA2OPRM1OPRK1
SCHEMBL30844266 0.90 EPHA2 (0.50) F2KDM1AEPHA2OPRM1OPRK1
SCHEMBL30844354 0.90 NPY2R (0.50) KDM1AMAOBKDM5AKDM1BC5AR1
SCHEMBL31257146 0.90 NPY2R (0.50) KDM1AMAOBKDM5AKDM1BC5AR1
SCHEMBL30844343 0.90 NPY2R (0.50) KDM1AMAOBKDM5AKDM1BC5AR1
SCHEMBL30844295 0.90 NPY2R (0.50) KDM1AMAOBKDM5AKDM1BC5AR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114462-B1 Compounds for fluorescence imaging UNIV GENEVE (CH) 2013-06-05 EP disclosed
US-20110263975-A1 FLUORESCENT PROBES HAVING A POLYMERIC BACKBONE GE HEALTHCARE AS (NO) 2011-10-27 US disclosed
US-20100278745-A1 COMPOUNDS FOR FLUORESCENCE IMAGING UNIVERSITE DE GENEVE (CH) 2010-11-04 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-20110263975-A1 FLUORESCENT PROBES HAVING A POLYMERIC BACKBONE CD38, ARFGAP1, ADCYAP1R1 F2 3203/4885KDM1A 4317/4885MAOB 717/4885

“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.