SCHEMBL4170377

SCHEMBL4170377

NC(CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 4/20 0.39
▸ ECE1 P42892 1/20 0.37
▸ POLB P06746 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ PIN1 Q13526 1/20 0.36
▸ GRIN2D O15399 1/20 0.35
▸ GRIN3B O60391 1/20 0.35
▸ GRIN1 Q05586 1/20 0.35
▸ GRIN2A Q12879 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35
▸ GRIN2C Q14957 1/20 0.35
▸ GRIN3A Q8TCU5 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MME P08473 1/20 0.34
▸ ACE2 Q9BYF1 1/20 0.34

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
SCHEMBL4170380 1.00 ACE (0.39) ACEECE1POLBLMNAPIN1
SCHEMBL4170401 0.88 FPR2 (0.39) POLBMEN1HTTKMT2A
SCHEMBL4170394 0.88 FPR2 (0.39) POLBMEN1HTTKMT2A
SCHEMBL4177756 0.85 ACE (0.46) ACEECE1
SCHEMBL16673455 0.85 ACE (0.46) ACEECE1
SCHEMBL30572052 0.84 SLC1A3 (0.38) ACEECE1
SCHEMBL31734674 0.83 MME (0.41) MMEACE2
SCHEMBL3076261 0.83 ACE (0.38) ACEPOLBPIN1MEN1HTT
SCHEMBL4161761 0.83 ACE (0.38) ACEPOLBPIN1MEN1HTT
SCHEMBL15832825 0.83 ACE (0.38) ACEPOLBPIN1MEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2041157-B1 PEPTIDE DERIVATIVES WITH THERAPEUTIC ACTIVITY FLAMMA SPA (IT) 2015-05-06 — — EP claimed
US-8765798-B2 Peptide derivatives with therapeutic activity FLAMMA S.P.A. (IT) 2014-07-01 — — US claimed
US-20090247601-A1 PEPTIDE DERIVATIVES WITH THERAPEUTIC ACTIVITY FLAMMA S.P.A. (IT) 2009-10-01 — — US claimed
EP-2041157-A1 PEPTIDE DERIVATIVES WITH THERAPEUTIC ACTIVITY Flamma S.P.A. (IT) 2009-04-01 — — EP claimed
WO-2008001174-A1 PEPTIDE DERIVATIVES WITH THERAPEUTIC ACTIVITY FLAMMA, S.P.A. (IT) 2008-01-03 — — WO claimed
EP-2041157-B1 PEPTIDE DERIVATIVES WITH THERAPEUTIC ACTIVITY FLAMMA SPA (IT) 2015-05-06 — — EP disclosed
US-8765798-B2 Peptide derivatives with therapeutic activity FLAMMA S.P.A. (IT) 2014-07-01 — — US disclosed
US-20090247601-A1 PEPTIDE DERIVATIVES WITH THERAPEUTIC ACTIVITY FLAMMA S.P.A. (IT) 2009-10-01 — — US disclosed
EP-2041157-A1 PEPTIDE DERIVATIVES WITH THERAPEUTIC ACTIVITY Flamma S.P.A. (IT) 2009-04-01 — — EP disclosed
WO-2008001174-A1 PEPTIDE DERIVATIVES WITH THERAPEUTIC ACTIVITY FLAMMA, S.P.A. (IT) 2008-01-03 — — WO 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-20090247601-A1 PEPTIDE DERIVATIVES WITH THERAPEUTIC ACTIVITY IAPP, VIP, DNPEP ACE 277/4885ECE1 397/4885POLB 2405/4885

“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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