SCHEMBL2404279

SCHEMBL2404279

O=C(O)CNc1c[nH]cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.38
PLAU P00749 1/20 0.37
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34
MAP4K4 O95819 1/20 0.33
EGLN1 Q9GZT9 3/20 0.33
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
PMP22 Q01453 1/20 0.32
PARP1 P09874 1/20 0.31
PTGS2 P35354 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
Hydrochloric Acid SCHEMBL7130069 0.76 ALDH1A1 (0.42) TP53RAB9AKDM4EMAPTALDH1A1
SCHEMBL333702 0.71
Hydrochloric Acid SCHEMBL1373131 0.70 LTA4H (0.32)
SCHEMBL22344275 0.70 NR4A2 (0.34) EGLN1
SCHEMBL31634153 0.70 EGLN1 (0.49) EGLN1KDM4EMAPT
Hydrochloric Acid SCHEMBL225633 0.70 FABP1 (0.53) KDM4EALDH1A1
SCHEMBL27571945 0.69 HPRT1 (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8425212 0.68
SCHEMBL9867082 0.68
Imidazole Acetic Acid SCHEMBL28497348 0.68 ALDH1A1 (0.41) KDM4EMAPTALDH1A1PMP22CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2386539-B1 4-Aminoproline derivatives useful as lysine mimetics ZEALAND PHARMA AS (DK) 2016-07-20 EP disclosed
EP-1966130-B1 MODIFIED LYSINE-MIMETIC COMPOUNDS ZEALAND PHARMA AS (DK) 2013-12-11 EP disclosed
US-20130225644-A1 MODIFIED LYSINE-MIMETIC COMPOUNDS ZEALAND PHARMA A/S (DK) 2013-08-29 US disclosed
US-8431540-B2 Modified lysine-mimetic compounds ZEALAND PHARMA A/S (DK) 2013-04-30 US disclosed
US-20120245106-A1 MODIFIED LYSINE-MIMETIC COMPOUNDS ZEALAND PHARMA A/S (DK) 2012-09-27 US disclosed
EP-2386539-A2 Modified lysine-mimetic compounds Zealand Pharma A/S (DK) 2011-11-16 EP disclosed
US-D647202-S1 Bone marrow harvesting device WARSAW ORTHOPEDIC, INC. (US) 2011-10-18 US disclosed
US-8026272-B2 Modified lysine-mimetic compounds ZEALAND PHARMA A/S (DK) 2011-09-27 US disclosed
US-20100249206-A1 MODIFIED LYSINE-MIMETIC COMPOUNDS Zealand Pharma A/S and Wyeth 2010-09-30 US disclosed
US-7622496-B2 antiarrhythmia agents; 1-(2-Amino-acetyl)-4-(benzoylamino)-pyrrolidine-2-carboxylic acid; desirable bioavailability properties ZEALAND PHARMA A/S (DK) 2009-11-24 US disclosed
EP-1966130-A2 MODIFIED LYSINE-MIMETIC COMPOUNDS Zealand Pharma A/S (DK) 2008-09-10 EP disclosed
WO-2007078990-A2 MODIFIED LYSINE-MIMETIC COMPOUNDS ZEALAND PHARMA A/S (DK) 2007-07-12 WO disclosed
US-20070149460-A1 Modified lysine-mimetic compounds ZEALAND PHARMA A/S (DK) 2007-06-28 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 (4 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-20120245106-A1 MODIFIED LYSINE-MIMETIC COMPOUNDS MYLK2, KCNN2, KCNN1 TDO2 2976/4885PLAU 1428/4885TP53 4350/4885
US-20130225644-A1 MODIFIED LYSINE-MIMETIC COMPOUNDS MYLK2, KCNN2, KCNN1 TDO2 2976/4885PLAU 1428/4885TP53 4350/4885
US-20100249206-A1 MODIFIED LYSINE-MIMETIC COMPOUNDS MYLK2, KCNN2, KCNN1 TDO2 2976/4885PLAU 1428/4885TP53 4350/4885
US-20070149460-A1 Modified lysine-mimetic compounds MYLK2, KCNN2, KCNN1 TDO2 2976/4885PLAU 1428/4885TP53 4350/4885

“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.