SCHEMBL4416405

SCHEMBL4416405

C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)NCc1cc2ccccc2oc1=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 6/20 0.43
▸ MAOA P21397 2/20 0.43
▸ MMP2 P08253 2/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ ADAM17 P78536 1/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MASP2 O00187 1/20 0.39
▸ F2 P00734 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ RAB9A P51151 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL4416398 1.00 MAOB (0.43) MAOBMAOAMMP2MMP9ADAM17
SCHEMBL16401469 0.85 MAOB (0.49) MAOBMAOAMMP2MMP9ADAM17
SCHEMBL5400405 0.80 MAOB (0.55) MAOBMAOAMMP2MMP9ADAM17
SCHEMBL5400401 0.80 MAOB (0.55) MAOBMAOAMMP2MMP9ADAM17
SCHEMBL5180148 0.79 TAS1R3 (0.40) MAOBMAOA
SCHEMBL12493203 0.78 MAOB (0.46) MAOBMAOAMMP2MMP9ADAM17
SCHEMBL4796989 0.78 MAOB (0.46) MAOBMAOAMMP2MMP9ADAM17
SCHEMBL6930389 0.78 MAOB (0.53) MAOBMAOAMMP2MMP9ADAM17
SCHEMBL4297619 0.77 PTGER4 (0.43) MAOBMAOAMMP2MMP9ADAM17
SCHEMBL2383875 0.76 MEN1 (0.47) MAOBMAOAADAM17NPC1ALDH1A1

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9376700-B2 Methods of modifying N-termini of a peptide or protein using transferases THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-06-28 — — US disclosed
US-20150140605-A1 ONE STEP N-TERMINAL TAGGING OF PROTEINS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2015-05-21 — — US disclosed
US-7608577-B2 Peptidyl ketones as inhibitors of DPIV OSI PHARMACEUTICALS, INC. (US) 2009-10-27 — — US disclosed
EP-1434792-B1 PEPTIDYL KETONES AS INHIBITORS OF DPIV PROSIDION LTD (GB) 2008-05-07 — — EP disclosed
US-7368576-B2 Dipeptidyl peptidase IV inhibitors and their uses as anti-cancer agents PROBIODRUG AG (DE) 2008-05-06 — — US disclosed
US-7368421-B2 Use of dipeptidyl peptidase IV inhibitors in the treatment of multiple sclerosis PROBIODRUG AG (DE) 2008-05-06 — — US disclosed
EP-1399471-B1 USE OF DIPEPTIDYL PEPTIDASE IV INHIBITORS AS THERAPEUTICS FOR NEUROLOGICAL DISORDERS PROBIODRUG AG (DE) 2008-01-30 — — EP disclosed
US-20070207946-A1 Dipeptidyl peptidase IV inhibitors and their uses for lowering blood pressure levels POSPISILIK ANDREW J 2007-09-06 — — US disclosed
US-20060293248-A1 Dipeptidyl peptidase IV inhibitors and their uses as anti-cancer agents PROBIODRUG AG 2006-12-28 — — US disclosed
EP-1480961-B1 GLUTAMINYL BASED DPIV INHIBITORS PROSIDION LTD (GB) 2006-12-27 — — EP disclosed
US-20030162820-A1 Glutaminyl based DPIV inhibitors PROSIDION LIMITED (GB) 2003-08-28 — — US disclosed
US-20030148961-A1 Peptidyl ketones as inhibitors of DPIV PROSIDION LIMITED (GB) 2003-08-07 — — US disclosed
US-20030130199-A1 Dipeptidyl peptidase IV inhibitors and their uses as anti-cancer agents PROBIODRUG (DE) 2003-07-10 — — US disclosed
US-20030125304-A1 Substituted amino ketone compounds PROSIDION LIMITED (GB) 2003-07-03 — — US disclosed
US-20030119750-A1 Use of dipeptidyl peptidase IV inhibitors PROBIODRUG (DE) 2003-06-26 — — US disclosed
WO-2003040174-A2 SUBSTITUTED AMINO KETONE COMPOUNDS PROBIODRUG AG (DE) 2003-05-15 — — WO disclosed
WO-2003033524-A2 PEPTIDYL KETONES AS INHIBITORS OF DPIV PROBIODRUG AG (DE) 2003-04-24 — — WO disclosed
WO-2003015775-A1 NEW DIPEPTIDYL PEPTIDASE IV INHIBITORS AND THEIR USES FOR LOWERING BLOOD PRESSURE LEVELS PROBIODRUG AG (DE) 2003-02-27 — — WO disclosed
WO-2003002596-A2 USE OF DIPEPTIDYL PEPTIDASE IV INHIBITORS AS THERAPEUTICS FOR NEUROLOGICAL DISORDERS PROBIODRUG AG (DE) 2003-01-09 — — WO disclosed
WO-2003002595-A2 DIPEPTIDYL PEPTIDASE IV INHIBITORS AND THEIR USES AS ANTI-CANCER AGENTS PROBIODRUG AG (DE) 2003-01-09 — — 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 (8 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-20150140605-A1 ONE STEP N-TERMINAL TAGGING OF PROTEINS TRMT1, RNGTT, NSUN3 MAOB 4056/4885MAOA 3746/4885MMP2 3346/4885
US-20030148961-A1 Peptidyl ketones as inhibitors of DPIV GLS, SLC5A1, BCKDK MAOB 4102/4885MAOA 4314/4885MMP2 1826/4885
US-20060293248-A1 Dipeptidyl peptidase IV inhibitors and their uses as anti-cancer agents DPP4, DPP3, DNPEP MAOB 3893/4885MAOA 3856/4885MMP2 9/4885
US-20030125304-A1 Substituted amino ketone compounds SLC5A1, GLS, GPR119 MAOB 1239/4885MAOA 2502/4885MMP2 4711/4885
US-20030130199-A1 Dipeptidyl peptidase IV inhibitors and their uses as anti-cancer agents DPP4, DPP3, DNPEP MAOB 3893/4885MAOA 3856/4885MMP2 9/4885
US-20030119750-A1 Use of dipeptidyl peptidase IV inhibitors DPP4, DPP3, DPP7 MAOB 1833/4885MAOA 1914/4885MMP2 28/4885
US-20030162820-A1 Glutaminyl based DPIV inhibitors GLS, SLC7A11, GLS2 MAOB 1790/4885MAOA 2516/4885MMP2 1401/4885
US-20070207946-A1 Dipeptidyl peptidase IV inhibitors and their uses for lowering blood pressure levels DPP4, DPP3, DPP9 MAOB 2534/4885MAOA 2663/4885MMP2 54/4885

“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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