SCHEMBL2400944

SCHEMBL2400944

NCC(=O)N1CC(c2nc(-c3ccccc3)c[nH]2)CC1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 5/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
ACE P12821 4/20 0.35
UCHL1 P09936 1/20 0.33
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
S1PR1 P21453 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
SCHEMBL14509059 1.00 AGTR2 (0.36) AGTR2ALDH1A1MAPK1ACEUCHL1
SCHEMBL2400873 1.00 AGTR2 (0.36) AGTR2ALDH1A1MAPK1ACEUCHL1
SCHEMBL2401368 0.78 HCRTR2 (0.44) AGTR2ALDH1A1ACEUCHL1DPP4
SCHEMBL14509605 0.78 HCRTR2 (0.44) AGTR2ALDH1A1ACEUCHL1DPP4
SCHEMBL2399717 0.78 HCRTR2 (0.44) AGTR2ALDH1A1ACEUCHL1DPP4
SCHEMBL2402464 0.78 HPGDS (0.42) AGTR2
SCHEMBL2402032 0.78 HPGDS (0.42) AGTR2
SCHEMBL12961396 0.76 CPT1A (0.48) ALDH1A1MAPK1
SCHEMBL12267702 0.72 ACACB (0.40) UCHL1CYP3A4CYP2C9
SCHEMBL12166154 0.72 ALDH1A1 (0.40) ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-102690221-A Modified lysine-mimetic compounds ZEALAND PHARMA AS 2012-09-26 CN 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 AGTR2 715/4885ALDH1A1 1510/4885MAPK1 4608/4885
US-20130225644-A1 MODIFIED LYSINE-MIMETIC COMPOUNDS MYLK2, KCNN2, KCNN1 AGTR2 715/4885ALDH1A1 1510/4885MAPK1 4608/4885
US-20100249206-A1 MODIFIED LYSINE-MIMETIC COMPOUNDS MYLK2, KCNN2, KCNN1 AGTR2 715/4885ALDH1A1 1510/4885MAPK1 4608/4885
US-20070149460-A1 Modified lysine-mimetic compounds MYLK2, KCNN2, KCNN1 AGTR2 715/4885ALDH1A1 1510/4885MAPK1 4608/4885

“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.