SCHEMBL4821906

SCHEMBL4821906

NCC(N)(C(=O)O)C(=O)c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
NAPRT Q6XQN6 1/20 0.50
P4HTM Q9NXG6 1/20 0.50
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HIF1A Q16665 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43

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
SCHEMBL26132533 0.78 NPC1 (0.41) LMNAL3MBTL1NAPRTP4HTMCES2
SCHEMBL10616915 0.75 HIF1A (0.52) L3MBTL1NAPRTCES2CES1KMT2A
SCHEMBL8558681 0.75 POLB (0.46) LMNAKMT2AALDH1A1SMN1; SMN2HIF1A
SCHEMBL30016837 0.73 CES2 (0.64) LMNAL3MBTL1NAPRTP4HTMCES2
SCHEMBL28388400 0.73 CES2 (0.64) LMNAL3MBTL1NAPRTP4HTMCES2
SCHEMBL8869716 0.72 LMNA (0.47) LMNAL3MBTL1NAPRTP4HTMCES2
SCHEMBL4820269 0.71 SMN1; SMN2 (0.47) L3MBTL1KMT2AALDH1A1SMN1; SMN2HIF1A
Trifluoroacetic Acid SCHEMBL1787547 0.71 L3MBTL1 (0.55) LMNAL3MBTL1NAPRTP4HTMCES2
Trifluoroacetic Acid SCHEMBL30261497 0.71 L3MBTL1 (0.55) LMNAL3MBTL1NAPRTP4HTMCES2
Trifluoroacetic Acid SCHEMBL28314966 0.71 L3MBTL1 (0.55) LMNAL3MBTL1NAPRTP4HTMCES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7425608-B2 Method of making metallopeptides PALATIN TECHNOLOGIES, INC. (US) 2008-09-16 US disclosed
US-20060240481-A1 Melanocortin Metallopeptode Combinatorial Libraries and Applications PALATIN TECHNOLOGIES, INC. (US) 2006-10-26 US disclosed
US-7049398-B1 Melanocortin metallopeptide constructs, combinatorial libraries and applications PALATIN TECHNOLOGIES, INC. (US) 2006-05-23 US disclosed
US-20060083685-A1 Opioid metallopeptide compositions and methods PALATIN TECHNOLOGIES, INC. (US) 2006-04-20 US disclosed
US-20060040324-A1 Methods for making metallopeptides and metallopeptide libraries PALATIN TECHNOLOGIES, INC. (US) 2006-02-23 US disclosed
US-20060003386-A1 Combinatorial library of different sequence peptide members synthesized on solid phase, where each constituent library member includes peptide sequence of three or more amino acid residues bound to solid phase characterized by sequence of two or more amino acid residues forming a metal ion-binding domain PALATIN TECHNOLOGIES, INC. (US) 2006-01-05 US disclosed
US-6979436-B2 Opioid metallopeptide compositions and methods PALATIN TECHNOLOGIES, INC. (US) 2005-12-27 US disclosed
US-20050181447-A1 OPIOID METALLOPEPTIDE COMPOSITIONS AND METHODS PALATIN TECHNOLOGIES, INC. 2005-08-18 US disclosed
EP-0831939-A4 STRUCTURALLY DETERMINED METALLO-CONSTRUCTS AND APPLICATIONS RHOMED INC (US) 2004-11-24 EP disclosed
US-20020012948-A1 Metallopeptide combinatorial libraries and applications PALATIN TECHNOLOGIES, INC. 2002-01-31 US disclosed
US-6331285-B1 PEPTIDE, PEPTIDOMIMETIC, PEPTIDE-LIKE AND METALLO-CONSTRUCTS, FOR USE IN RECEPTOR-SPECIFIC COMPOSITIONS FOR BIOLOGICAL, PHARMACEUTICAL AND RADIOPHARMACEUTICAL APPLICATIONS, CONFORMATIONALLY FIXED, PALATIN TECHNOLOGIES, INC. 2001-12-18 US disclosed
WO-2001036006-A1 OPIOID METALLOPEPTIDE COMPOSITIONS AND METHODS PALATIN TECHNOLOGIES, INC. (US) 2001-05-25 WO disclosed
EP-0831939-A1 STRUCTURALLY DETERMINED METALLO-CONSTRUCTS AND APPLICATIONS Rhomed Incorporated (US) 1998-04-01 EP disclosed
WO-1997048444-A1 IONTOPHORETIC DELIVERY OF CELL ADHESION INHIBITORS BECTON DICKINSON AND COMPANY (US) 1997-12-24 WO disclosed
WO-1996040293-A1 STRUCTURALLY DETERMINED METALLO-CONSTRUCTS AND APPLICATIONS RHOMED INCORPORATED (US) 1996-12-19 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 (3 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-20020012948-A1 Metallopeptide combinatorial libraries and applications SPPL2B, METAP2, PTMS LMNA 4247/4885L3MBTL1 434/4885NAPRT 3982/4885
US-20050181447-A1 OPIOID METALLOPEPTIDE COMPOSITIONS AND METHODS OPRM1, OPRL1, OPRK1 LMNA 4290/4885L3MBTL1 1222/4885NAPRT 3424/4885
US-20060083685-A1 Opioid metallopeptide compositions and methods OPRM1, OPRL1, OPRK1 LMNA 4233/4885L3MBTL1 1212/4885NAPRT 3346/4885

“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.