SCHEMBL12166153

SCHEMBL12166153

COC(=O)CNc1ccnn1Cc1ccc(OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 11/20 0.48
MCHR1 Q99705 2/20 0.44
BTK Q06187 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
UCHL1 P09936 1/20 0.43
ALOX15 P16050 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP19A1 P11511 1/20 0.41
POLB P06746 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CMA1 P23946 1/20 0.40

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
SCHEMBL8078489 0.82 NPBWR1 (0.47) NPBWR1MCHR1BTKCYP11B1CYP11B2
SCHEMBL8076193 0.79 NPBWR1 (0.49) NPBWR1MCHR1BTKUCHL1ALOX15
SCHEMBL13167916 0.79 NPBWR1 (0.49) NPBWR1MCHR1BTKUCHL1ALOX15
SCHEMBL1491135 0.79 NPBWR1 (0.44) NPBWR1MCHR1BTKUCHL1ALOX15
Hydrochloric Acid SCHEMBL28635367 0.77 NPBWR1 (0.47) NPBWR1MCHR1BTKUCHL1ALOX15
Hydrochloric Acid SCHEMBL31463493 0.77 NPBWR1 (0.47) NPBWR1MCHR1BTKUCHL1ALOX15
SCHEMBL25324228 0.77 ALDH1A1 (0.46) NPBWR1MCHR1BTKUCHL1ALOX15
SCHEMBL25326418 0.77 ALDH1A1 (0.46) NPBWR1MCHR1BTKUCHL1ALOX15
SCHEMBL3743887 0.77 BTK (0.44) NPBWR1MCHR1BTKCYP11B1CYP11B2
SCHEMBL6603633 0.76 NPBWR1 (0.52) NPBWR1MCHR1UCHL1ALOX15L3MBTL1

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 16 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
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 NPBWR1 3632/4885MCHR1 4287/4885BTK 4743/4885
US-20130225644-A1 MODIFIED LYSINE-MIMETIC COMPOUNDS MYLK2, KCNN2, KCNN1 NPBWR1 3632/4885MCHR1 4287/4885BTK 4743/4885
US-20100249206-A1 MODIFIED LYSINE-MIMETIC COMPOUNDS MYLK2, KCNN2, KCNN1 NPBWR1 3632/4885MCHR1 4287/4885BTK 4743/4885
US-20070149460-A1 Modified lysine-mimetic compounds MYLK2, KCNN2, KCNN1 NPBWR1 3632/4885MCHR1 4287/4885BTK 4743/4885

“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.