SCHEMBL5856782

SCHEMBL5856782

C[C@H](NC1CCCCN1C(=N)N)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CPN1 P15169 2/20 0.36
▸ CPB2 Q96IY4 2/20 0.36
▸ F2 P00734 10/20 0.35
▸ PRSS1 P07477 10/20 0.35
▸ ITGB3 P05106 1/20 0.34
▸ ITGA2B P08514 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ PLG P00747 1/20 0.32
▸ PLAU P00749 1/20 0.32

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
SCHEMBL21578335 0.79 F2 (0.34) CPN1CPB2F2PRSS1PLG
SCHEMBL5858917 0.73 F2 (0.38) F2PRSS1ITGB3ITGA2B
SCHEMBL661207 0.72 CPN1 (0.50) CPN1CPB2F2PRSS1ITGB3
SCHEMBL4955491 0.71 LTA4H (0.33) —
SCHEMBL3260894 0.67 ACE (0.45) —
SCHEMBL18528443 0.67 ITGB3 (0.46) F2PRSS1ITGB3ITGA2BPOLB
SCHEMBL919280 0.66 SMN1; SMN2 (0.47) —
SCHEMBL147119 0.66 SMN1; SMN2 (0.47) —
SCHEMBL147120 0.66 SMN1; SMN2 (0.47) —
SCHEMBL1468174 0.64 ALDH1A1 (0.49) —

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-7015306-B2 Labeled neurotensin derivatives BIOSYNTHEMA, INC. (US) 2006-03-21 — — US disclosed
US-20050191240-A1 Peptide analogs of neurotensin resistant to enzymatic degradation and retain high binding affinity for neurotensin receptors; metal chelating group on one end; replacing Arg8 with Gly(PipAm) ((N-amidinopiperidinyl)glycine) for example; useful for diagnostic and therapeutic purposes ADVANCED ACCELERATOR APPLICATIONS USA, INC. 2005-09-01 — — 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-20050191240-A1 Peptide analogs of neurotensin resistant to enzymatic degradation and retain high binding affinity for neurotensin receptors; metal chelating group on one end; replacing Arg8 with Gly(PipAm) ((N-amidinopiperidinyl)glycine) for example; useful for diagnostic and therapeutic purposes ANPEP, DNPEP, NTSR1 CPN1 49/4885CPB2 516/4885F2 2752/4885

“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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