SCHEMBL327042

SCHEMBL327042

CC(C)(C)OC(=O)N1CCC(=O)N(Cc2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.50
GPR119 Q8TDV5 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
STS P08842 1/20 0.47
ACHE P22303 1/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
DTYMK P23919 1/20 0.46
SCD O00767 1/20 0.46
SCD5 Q86SK9 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45

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
SCHEMBL4788462 0.89 VEGFA (0.55) TP53STSHDAC1HDAC6POLB
SCHEMBL1049753 0.89 HDAC1 (0.50) TP53GPR119OPRD1OPRK1STS
SCHEMBL29967631 0.87 ALDH1A1 (0.55) TP53GPR119L3MBTL1STSHDAC1
SCHEMBL5313737 0.85 HDAC1 (0.61) TP53HDAC1HDAC6JAK2JAK1
SCHEMBL327031 0.81 L3MBTL1 (0.47) TP53GPR119L3MBTL1OPRD1OPRK1
SCHEMBL2862442 0.81 ALDH1A1 (0.60) TP53L3MBTL1CHRM2CHRM4CHRM1
SCHEMBL16862352 0.81 OPRD1 (0.52) TP53GPR119OPRD1OPRK1STS
SCHEMBL8399553 0.80 MAPK1 (0.48) TP53GPR119OPRD1OPRK1STS
SCHEMBL2897131 0.80 TP53 (0.53) TP53GPR119STSACHECHRM4
SCHEMBL8293418 0.80 OPRD1 (0.47) TP53GPR119L3MBTL1OPRD1OPRK1

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 TP53 159/4885GPR119 151/4885L3MBTL1 3054/4885

“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.