SCHEMBL327031

SCHEMBL327031

CC(C)(C)OC(=O)N1CCCN(Cc2ccccc2)C(=O)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
HDAC1 Q13547 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HTR6 P50406 2/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
BCHE P06276 1/20 0.44
MAPK1 P28482 1/20 0.44
GPR119 Q8TDV5 2/20 0.44
TP53 P04637 1/20 0.44
STS P08842 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
CYBB P04839 1/20 0.43
NOX5 Q96PH1 1/20 0.43
NOX4 Q9NPH5 1/20 0.43
NOX1 Q9Y5S8 1/20 0.43
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42

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
SCHEMBL1049753 0.93 HDAC1 (0.50) HDAC1HDAC6KMT2AOPRD1OPRK1
SCHEMBL8294396 0.87 MMP1 (0.47) L3MBTL1HDAC1HDAC6MEN1KMT2A
SCHEMBL5037174 0.86 TACR1 (0.42) MEN1KMT2AMAPK1GPR119STS
SCHEMBL8293418 0.86 OPRD1 (0.47) L3MBTL1HDAC1HDAC6KMT2AOPRD1
SCHEMBL1081669 0.82 HDAC1 (0.50) HDAC1HDAC6MEN1KMT2AGPR119
SCHEMBL22532823 0.81 TP53 (0.50) HDAC1HDAC6MEN1KMT2AMAPK1
SCHEMBL20129614 0.81 TP53 (0.50) HDAC1HDAC6MEN1KMT2AMAPK1
SCHEMBL14103789 0.81 VEGFA (0.53) HDAC1HDAC6MEN1KMT2ATP53
SCHEMBL327042 0.81 TP53 (0.50) L3MBTL1HDAC1HDAC6KMT2AOPRD1
SCHEMBL28546761 0.81 PLA2G10 (0.45) L3MBTL1MEN1KMT2AHRH3

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9586961-B2 Homopiperazine derivatives as protein tyrosine kinase inhibitors and pharmaceutical use thereof LEO PHARMA A/S (DK) 2017-03-07 US disclosed
US-9586961-B2 Homopiperazine derivatives as protein tyrosine kinase inhibitors and pharmaceutical use thereof LEO PHARMA A/S (DK) 2017-03-07 US disclosed
EP-2590981-B1 NOVEL HOMOPIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF LEO PHARMA AS (DK) 2014-09-03 EP disclosed
US-20130172325-A1 NOVEL HOMOPIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2013-07-04 US disclosed
US-20130172325-A1 NOVEL HOMOPIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2013-07-04 US disclosed
US-20130172325-A1 NOVEL HOMOPIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2013-07-04 US disclosed
EP-2590981-A1 NOVEL HOMOPIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF Leo Pharma A/S (DK) 2013-05-15 EP disclosed
WO-2012003829-A1 NOVEL HOMOPIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2012-01-12 WO disclosed
WO-2012003829-A1 NOVEL HOMOPIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2012-01-12 WO 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 (1 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-20130172325-A1 NOVEL HOMOPIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF JAK1, JAK2, JAK3 L3MBTL1 3054/4885HDAC1 1281/4885HDAC6 2506/4885

“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.