SCHEMBL2398846

SCHEMBL2398846

NCC(=O)N1CC(c2ncc(-c3ccccc3)o2)CC1C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 3/20 0.69
HCRTR2 O43614 2/20 0.44
CYP2C9 P11712 2/20 0.41
HDAC4 P56524 1/20 0.41
LMNA P02545 3/20 0.39
TP53 P04637 3/20 0.39
NPC1 O15118 2/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
NFKB1 P19838 1/20 0.37
CYP2C19 P33261 1/20 0.37
CASP3 P42574 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
SCHEMBL2401384 1.00 AGTR2 (0.69) AGTR2HCRTR2CYP2C9HDAC4LMNA
SCHEMBL15094974 0.81 AGTR2 (1.00) AGTR2
SCHEMBL2399717 0.78 HCRTR2 (0.44) AGTR2HCRTR2ALDH1A1HCRTR1
SCHEMBL2401368 0.78 HCRTR2 (0.44) AGTR2HCRTR2ALDH1A1HCRTR1
SCHEMBL14509605 0.78 HCRTR2 (0.44) AGTR2HCRTR2ALDH1A1HCRTR1
SCHEMBL18746166 0.76 AGTR2 (0.57) AGTR2HCRTR2CYP2C9HDAC4LMNA
SCHEMBL2402032 0.76 HPGDS (0.42) AGTR2
SCHEMBL2402464 0.76 HPGDS (0.42) AGTR2
SCHEMBL12166260 0.72 AGTR2 (0.49) AGTR2HCRTR2CYP2C9HDAC4LMNA
SCHEMBL14509606 0.72 AGTR2 (0.49) AGTR2HCRTR2CYP2C9HDAC4LMNA

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 11 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
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 715/4885HCRTR2 4118/4885CYP2C9 1369/4885
US-20130225644-A1 MODIFIED LYSINE-MIMETIC COMPOUNDS MYLK2, KCNN2, KCNN1 AGTR2 715/4885HCRTR2 4118/4885CYP2C9 1369/4885
US-20100249206-A1 MODIFIED LYSINE-MIMETIC COMPOUNDS MYLK2, KCNN2, KCNN1 AGTR2 715/4885HCRTR2 4118/4885CYP2C9 1369/4885
US-20070149460-A1 Modified lysine-mimetic compounds MYLK2, KCNN2, KCNN1 AGTR2 715/4885HCRTR2 4118/4885CYP2C9 1369/4885

“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.