SCHEMBL12166154

SCHEMBL12166154

COC(=O)[C@@H]1C[C@@H](c2nc(-c3ccccc3)c[nH]2)CN1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
CYP3A4 P08684 3/20 0.40
KDM4E B2RXH2 2/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 2/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
FKBP1A P62942 1/20 0.37
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL13623293 1.00 ALDH1A1 (0.40) ALDH1A1CYP3A4KDM4EKMT2AMAPT
SCHEMBL14509057 0.80 HCRTR2 (0.42) ALDH1A1CYP3A4KDM4EKMT2AMAPT
SCHEMBL12166285 0.80 HCRTR2 (0.42) ALDH1A1CYP3A4KDM4EKMT2AMAPT
SCHEMBL12267702 0.77 ACACB (0.40) CYP3A4
SCHEMBL407689 0.77 TDP1 (0.43) ALDH1A1MAPTHPGDNPSR1HSD17B10
SCHEMBL440195 0.77 TDP1 (0.43) ALDH1A1MAPTHPGDNPSR1HSD17B10
SCHEMBL19853295 0.75 ALDH1A1 (0.47) ALDH1A1CYP3A4KDM4EKMT2AMAPT
SCHEMBL12166160 0.74 CHEK2 (0.40)
SCHEMBL14509054 0.74 S1PR5 (0.50) ALDH1A1CYP3A4KDM4EKMT2AMAPT
SCHEMBL12267641 0.74 S1PR5 (0.50) ALDH1A1CYP3A4KDM4EKMT2AMAPT

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 15 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-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-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-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-8026272-B2 Modified lysine-mimetic compounds ZEALAND PHARMA A/S (DK) 2011-09-27 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-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
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
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 1510/4885CYP3A4 957/4885KDM4E 80/4885
US-20130225644-A1 MODIFIED LYSINE-MIMETIC COMPOUNDS MYLK2, KCNN2, KCNN1 ALDH1A1 1510/4885CYP3A4 957/4885KDM4E 80/4885
US-20100249206-A1 MODIFIED LYSINE-MIMETIC COMPOUNDS MYLK2, KCNN2, KCNN1 ALDH1A1 1510/4885CYP3A4 957/4885KDM4E 80/4885
US-20070149460-A1 Modified lysine-mimetic compounds MYLK2, KCNN2, KCNN1 ALDH1A1 1510/4885CYP3A4 957/4885KDM4E 80/4885

“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.