SCHEMBL13033364

SCHEMBL13033364

C#CCCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)NCCCCCCNC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)[C@@H](CC(=O)OCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)CCCC#C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 1/20 0.53
▸ CAPN2 P17655 1/20 0.53
▸ PSEN1 P49768 6/20 0.52
▸ PSEN2 P49810 6/20 0.52
▸ APH1B Q8WW43 6/20 0.52
▸ NCSTN Q92542 6/20 0.52
▸ APH1A Q96BI3 6/20 0.52
▸ PSENEN Q9NZ42 6/20 0.52
▸ REN P00797 2/20 0.49
▸ NPY1R P25929 1/20 0.46
▸ NPY2R P49146 1/20 0.46
▸ NPY4R P50391 1/20 0.46
▸ NPY5R Q15761 1/20 0.46
▸ OPRM1 P35372 1/20 0.46
▸ OPRD1 P41143 1/20 0.46
▸ OPRK1 P41145 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ KMT2A Q03164 1/20 0.45

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
SCHEMBL12294941 0.79 REN (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12294934 0.78 PSEN1 (0.51) CAPN1CAPN2PSEN1PSEN2APH1B
SCHEMBL10825170 0.78 MEN1 (0.68) CAPN1CAPN2MEN1ALDH1A1HPGD
SCHEMBL12294937 0.78 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10825385 0.76 HPGD (0.66) CAPN1CAPN2MEN1ALDH1A1HPGD
SCHEMBL10825380 0.76 HPGD (0.66) CAPN1CAPN2MEN1ALDH1A1HPGD
SCHEMBL13033370 0.75 CAPN1 (0.46) CAPN1CAPN2RENMEN1ALDH1A1
SCHEMBL7309615 0.74 MAPT (0.56) MEN1KMT2APSMB5
SCHEMBL23447225 0.74 PTPN1 (0.56) CAPN1RENOPRM1OPRD1CTSK
SCHEMBL25379202 0.74 PTGER4 (0.54) CAPN1CAPN2CTSKCTSSCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100278927-A1 POLYMERIC MICELLES FOR POLYNUCLEOTIDE ENCAPSULATION INTEZYNE TECHNOLOGIES, INCORPORATED (US) 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-20100278927-A1 POLYMERIC MICELLES FOR POLYNUCLEOTIDE ENCAPSULATION NCL, POLN, CHMP4B CAPN1 1356/4885CAPN2 1249/4885PSEN1 2586/4885

“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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