SCHEMBL3105144

SCHEMBL3105144

O=C(NC1CCCN1C1CC1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.47
HTT P42858 3/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSK P43235 1/20 0.46
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CARM1 Q86X55 1/20 0.45
PRMT6 Q96LA8 1/20 0.45
CHRM1 P11229 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL2401169 0.83 CARM1 (0.52) HTTMEN1KMT2ACTSLCTSB
SCHEMBL2399591 0.80 POLB (0.45) HTTALDH1A1LMNAMEN1KMT2A
SCHEMBL2401685 0.78 MEN1 (0.48) HTTALDH1A1MEN1KMT2ACTSL
SCHEMBL2399783 0.78 NPSR1 (0.49) MEN1KMT2ACTSLCTSBCTSK
SCHEMBL2400798 0.78 ALDH1A1 (0.47) HTTALDH1A1MEN1KMT2ACTSL
SCHEMBL27604695 0.77 DPP7 (0.48) HTTMEN1KMT2ACTSLCTSB
SCHEMBL23507512 0.77 CTSL (0.64) CTSLCTSBCTSKHPGD
SCHEMBL8590331 0.75 PREP (0.49) HRH3HTTALDH1A1LMNAMEN1
SCHEMBL2402365 0.75 NPSR1 (0.46) ALDH1A1LMNACTSLCTSBCTSK
SCHEMBL11206794 0.74 CTSL (0.45) HTTMEN1KMT2ACTSLCTSB

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 HRH3 665/4885HTT 4220/4885ALDH1A1 1510/4885
US-20130225644-A1 MODIFIED LYSINE-MIMETIC COMPOUNDS MYLK2, KCNN2, KCNN1 HRH3 665/4885HTT 4220/4885ALDH1A1 1510/4885
US-20100249206-A1 MODIFIED LYSINE-MIMETIC COMPOUNDS MYLK2, KCNN2, KCNN1 HRH3 665/4885HTT 4220/4885ALDH1A1 1510/4885
US-20070149460-A1 Modified lysine-mimetic compounds MYLK2, KCNN2, KCNN1 HRH3 665/4885HTT 4220/4885ALDH1A1 1510/4885

“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.