SCHEMBL3099776

SCHEMBL3099776

CC(N1CCCC1NC(=O)c1ccccc1)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
PREP P48147 1/20 0.43
FAP Q12884 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP3A4 P08684 1/20 0.42
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 1/20 0.40
ACE P12821 1/20 0.40
LMNA P02545 1/20 0.40
CCR1 P32246 1/20 0.40
CHRM1 P11229 1/20 0.40
USP30 Q70CQ3 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSK P43235 1/20 0.40
CTSS P25774 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL2400798 0.87 ALDH1A1 (0.47) MEN1KMT2APREPFAPNPSR1
SCHEMBL2401685 0.79 MEN1 (0.48) MEN1KMT2APREPFAPNPSR1
SCHEMBL10694282 0.79 NPSR1 (0.42) MEN1KMT2APREPFAPNPSR1
SCHEMBL2401169 0.78 CARM1 (0.52) MEN1KMT2ANPSR1CARM1PRMT6
SCHEMBL2402365 0.75 NPSR1 (0.46) PREPFAPNPSR1CYP3A4CARM1
SCHEMBL28961482 0.74 USP30 (0.54) MEN1KMT2ANPSR1CYP3A4LMNA
SCHEMBL3105144 0.74 HRH3 (0.47) MEN1KMT2ANPSR1CARM1PRMT6
SCHEMBL2399783 0.73 NPSR1 (0.49) MEN1KMT2ANPSR1CARM1PRMT6
SCHEMBL2399591 0.72 POLB (0.45) MEN1KMT2ANPSR1CARM1PRMT6
SCHEMBL27604695 0.70 DPP7 (0.48) MEN1KMT2ANPSR1CYP3A4HTT

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 6 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-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 MEN1 1114/4885KMT2A 89/4885PREP 1116/4885
US-20130225644-A1 MODIFIED LYSINE-MIMETIC COMPOUNDS MYLK2, KCNN2, KCNN1 MEN1 1114/4885KMT2A 89/4885PREP 1116/4885
US-20100249206-A1 MODIFIED LYSINE-MIMETIC COMPOUNDS MYLK2, KCNN2, KCNN1 MEN1 1114/4885KMT2A 89/4885PREP 1116/4885
US-20070149460-A1 Modified lysine-mimetic compounds MYLK2, KCNN2, KCNN1 MEN1 1114/4885KMT2A 89/4885PREP 1116/4885

“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.