SCHEMBL10055085

SCHEMBL10055085

CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(NC(=O)NCC3CC3)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.62
ABL1 P00519 1/20 0.61
RIN1 Q13671 1/20 0.61
KDM4E B2RXH2 2/20 0.55
PKM P14618 1/20 0.55
BRD4 O60885 1/20 0.55
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
FPR2 P25090 2/20 0.52
FPR3 P25089 1/20 0.52
PTPN2 P17706 1/20 0.51
PTPN1 P18031 1/20 0.51
PTPN6 P29350 1/20 0.51
CYP2C19 P33261 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
HPGD P15428 1/20 0.48
TGFBR1 P36897 1/20 0.48
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47

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
SCHEMBL1512646 0.94 EPHX2 (0.56) EPHX2ABL1RIN1KDM4EPKM
SCHEMBL1863647 0.84 USP30 (0.54) ABL1RIN1KDM4EPKMBRD4
SCHEMBL1868037 0.83 BRD4 (0.55) ABL1RIN1KDM4EPKMBRD4
SCHEMBL343332 0.83 NPC1 (0.57) EPHX2BRD4NPC1RAB9AALDH1A1
SCHEMBL13671324 0.83 EPHX2 (0.67) EPHX2ABL1RIN1KDM4EMEN1
SCHEMBL12955058 0.82 EPHX2 (0.66) EPHX2ABL1RIN1KDM4EMEN1
SCHEMBL12955131 0.81 ABL1 (0.65) EPHX2ABL1RIN1MEN1KMT2A
SCHEMBL1868240 0.80 USP30 (0.62) KDM4EPKMBRD4FPR2FPR3
SCHEMBL31396747 0.80 ABL1 (0.65) EPHX2ABL1RIN1KDM4EMEN1
SCHEMBL348757 0.79 EPHX2 (0.58) EPHX2BRD4NPC1RAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759352-B2 1-(4-ureidobenzoyl)piperazine derivatives MERCK SHARP & DOHME B.V. (NL) 2014-06-24 US disclosed
US-8759352-B2 1-(4-ureidobenzoyl)piperazine derivatives MERCK SHARP & DOHME B.V. (NL) 2014-06-24 US disclosed
US-20120015958-A1 1-(4-UREIDOBENZOYL)PIPERAZINE DERIVATIVES N.V. ORGANON (NL) 2012-01-19 US disclosed
US-20120015958-A1 1-(4-UREIDOBENZOYL)PIPERAZINE DERIVATIVES N.V. ORGANON (NL) 2012-01-19 US disclosed
WO-2010025179-A1 1-(4-UREIDOBENZOYL)PIPERAZINE DERIVATIVES N.V. ORGANON (NL) 2010-03-04 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-20120015958-A1 1-(4-UREIDOBENZOYL)PIPERAZINE DERIVATIVES NPC1, ABCB11, NPC1L1 EPHX2 1501/4885ABL1 3227/4885RIN1 455/4885

“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.