SCHEMBL2400798

SCHEMBL2400798

CC(C)N1CCCC1NC(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
PREP P48147 1/20 0.46
FAP Q12884 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP3A4 P08684 1/20 0.45
CARM1 Q86X55 1/20 0.45
PRMT6 Q96LA8 1/20 0.45
HTT P42858 2/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ACE P12821 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSK P43235 1/20 0.43
CHRM1 P11229 1/20 0.42
HPGD P15428 1/20 0.42
CHRM3 P20309 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL3099776 0.87 MEN1 (0.44) ALDH1A1PREPFAPNPSR1CYP3A4
SCHEMBL10694282 0.83 NPSR1 (0.42) ALDH1A1PREPFAPNPSR1CYP3A4
SCHEMBL2401169 0.82 CARM1 (0.52) NPSR1CARM1PRMT6HTTMEN1
SCHEMBL2402365 0.80 NPSR1 (0.46) ALDH1A1PREPFAPNPSR1CYP3A4
SCHEMBL3105144 0.78 HRH3 (0.47) ALDH1A1NPSR1CARM1PRMT6HTT
SCHEMBL2399783 0.77 NPSR1 (0.49) NPSR1CARM1PRMT6MEN1KMT2A
SCHEMBL2401685 0.77 MEN1 (0.48) ALDH1A1PREPFAPNPSR1CARM1
SCHEMBL2399591 0.77 POLB (0.45) ALDH1A1NPSR1CARM1PRMT6HTT
SCHEMBL10210766 0.75 HRH3 (0.58) NPSR1CARM1PRMT6CTSLCTSB
SCHEMBL18389994 0.74 HRH3 (0.67) ALDH1A1NPSR1CYP3A4CARM1PRMT6

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 7 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
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
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 ALDH1A1 1510/4885PREP 1116/4885FAP 1061/4885
US-20130225644-A1 MODIFIED LYSINE-MIMETIC COMPOUNDS MYLK2, KCNN2, KCNN1 ALDH1A1 1510/4885PREP 1116/4885FAP 1061/4885
US-20100249206-A1 MODIFIED LYSINE-MIMETIC COMPOUNDS MYLK2, KCNN2, KCNN1 ALDH1A1 1510/4885PREP 1116/4885FAP 1061/4885
US-20070149460-A1 Modified lysine-mimetic compounds MYLK2, KCNN2, KCNN1 ALDH1A1 1510/4885PREP 1116/4885FAP 1061/4885

“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.