SCHEMBL2476844

SCHEMBL2476844

O=C(Nc1cccc(OCc2ccccc2)c1)Oc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.61
PDK1 Q15118 1/20 0.60
PDK2 Q15119 1/20 0.60
PDK3 Q15120 1/20 0.60
PDK4 Q16654 1/20 0.60
CYP1A2 P05177 1/20 0.59
CTSV O60911 1/20 0.59
CTSL P07711 1/20 0.59
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
LMNA P02545 1/20 0.58
MAOB P27338 1/20 0.57
SIRT2 Q8IXJ6 1/20 0.56
NR4A2 P43354 1/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
LTA4H P09960 1/20 0.56
MGLL Q99685 1/20 0.55
SMPD1 P17405 1/20 0.55

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
SCHEMBL28770743 0.91 KMT2A (0.61) NR1H4PDK1PDK2PDK3PDK4
SCHEMBL5249717 0.87 NR1H4 (0.65) NR1H4PDK1PDK2PDK3PDK4
SCHEMBL2475340 0.85 RAB9A (0.76) CYP1A2MEN1KMT2ANPC1RAB9A
SCHEMBL28390021 0.85 MEN1 (0.71) NR1H4PDK1PDK2PDK3PDK4
SCHEMBL10599853 0.84 MEN1 (0.79) NR1H4PDK1PDK2PDK3PDK4
SCHEMBL8119011 0.84 SIRT2 (0.64) NR1H4PDK1PDK2PDK3PDK4
SCHEMBL22920172 0.84 PDK1 (0.65) NR1H4PDK1PDK2PDK3PDK4
SCHEMBL29910262 0.84 PDK1 (0.65) NR1H4PDK1PDK2PDK3PDK4
SCHEMBL8048626 0.83 CYP1A2 (0.76) CYP1A2MEN1KMT2ALMNARAB9A
SCHEMBL23283414 0.83 LTA4H (0.62) NR1H4PDK1PDK2PDK3PDK4

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2727913-A1 (4-Tert-butylpiperazin-2-yl)(piperazin-1-yl)methanone-N-carboxamide derivatives Astrazeneca AB (SE) 2014-05-07 EP disclosed
US-20140038978-A1 HETEROCYCLIC COMPOUNDS AS CCR2B ANTAGONISTS ASTRAZENECA AB (SE) 2014-02-06 US disclosed
US-20140038978-A1 HETEROCYCLIC COMPOUNDS AS CCR2B ANTAGONISTS ASTRAZENECA AB (SE) 2014-02-06 US disclosed
US-20130289043-A1 (4-TERT-BUTYLPIPERAZIN-2-YL)(PIPERAZIN-1-YL)METHANONE-N-CARBOXAMIDE DERIVATIVES ASTRAZENECA AB (SE) 2013-10-31 US disclosed
CN-101128427-B Heterocyclic compounds as ccr2b antagonists ASTRAZENECA AB 2013-03-27 CN disclosed
US-20120289513-A1 (4-TERT-BUTYLPIPERAZIN-2-YL)(PIPERAZIN-1-YL)METHANONE-N-CARBOXAMIDE DERIVATIVES ASTRAZENECA AB (SE) 2012-11-15 US disclosed
US-20120264762-A1 Heterocyclic Compounds as CCR2 Antagonists ASTRAZENECA AB (SE) 2012-10-18 US disclosed
US-20120264762-A1 Heterocyclic Compounds as CCR2 Antagonists ASTRAZENECA AB (SE) 2012-10-18 US disclosed
US-8076332-B2 N- (2-aminophenyl) benzamide derivative having urea structure SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-12-13 US disclosed
US-8076332-B2 N- (2-aminophenyl) benzamide derivative having urea structure SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-12-13 US disclosed
WO-2010071567-A1 (4-TERT-BUTYLPIPERAZIN-2-YL)(PIPERAZIN-1-YL)METHANONE-N-CARBOXAMIDE DERIVATIVES ASTRAZENECA AB (SE) 2010-06-24 WO disclosed
US-20100152197-A1 (4-TERT-BUTYLPIPERAZIN-2-YL)(PIPERAZIN-1-YL)METHANONE-N-CARBOXAMIDE DERIVATIVES ASTRAZENECA AB (SE) 2010-06-17 US disclosed
US-20090306077-A1 NOVEL N- (2-AMINOPHENYL) BENZAMIDE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-12-10 US disclosed
US-20090306077-A1 NOVEL N- (2-AMINOPHENYL) BENZAMIDE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-12-10 US disclosed
US-20090306077-A1 NOVEL N- (2-AMINOPHENYL) BENZAMIDE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-12-10 US disclosed
EP-2107052-A1 NOVEL N-(2-AMINOPHENYL)BENZAMIDE DERIVATIVE HAVING AN UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2009-10-07 EP disclosed
EP-2107052-A1 NOVEL N-(2-AMINOPHENYL)BENZAMIDE DERIVATIVE HAVING AN UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2009-10-07 EP disclosed
US-20090099156-A1 Heterocyclic Compounds as Ccr2b antagonists ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-20090099156-A1 Heterocyclic Compounds as Ccr2b antagonists ASTRAZENECA AB (SE) 2009-04-16 US disclosed
CN-101128427-A Heterocyclic compounds as ccr2b antagonists ASTRAZENECA AB (SE) 2008-02-20 CN 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 (7 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-20130289043-A1 (4-TERT-BUTYLPIPERAZIN-2-YL)(PIPERAZIN-1-YL)METHANONE-N-CARBOXAMIDE DERIVATIVES CCR2, CCR5, CNR2 NR1H4 297/4885PDK1 1499/4885PDK2 1061/4885
US-20120264762-A1 Heterocyclic Compounds as CCR2 Antagonists CCR2, CCR3, CXCR2 NR1H4 289/4885PDK1 3931/4885PDK2 3480/4885
US-20140038978-A1 HETEROCYCLIC COMPOUNDS AS CCR2B ANTAGONISTS CCR2, CCR3, CXCR2 NR1H4 331/4885PDK1 4188/4885PDK2 3651/4885
US-20090099156-A1 Heterocyclic Compounds as Ccr2b antagonists CCR2, CCR3, CXCR2 NR1H4 324/4885PDK1 4167/4885PDK2 3709/4885
US-20090306077-A1 NOVEL N- (2-AMINOPHENYL) BENZAMIDE DERIVATIVE HAVING UREA STRUCTURE UACA, SLC14A1, ARG2 NR1H4 1376/4885PDK1 3615/4885PDK2 2905/4885
US-20100152197-A1 (4-TERT-BUTYLPIPERAZIN-2-YL)(PIPERAZIN-1-YL)METHANONE-N-CARBOXAMIDE DERIVATIVES CCR2, CCR5, CNR2 NR1H4 297/4885PDK1 1499/4885PDK2 1061/4885
US-20120289513-A1 (4-TERT-BUTYLPIPERAZIN-2-YL)(PIPERAZIN-1-YL)METHANONE-N-CARBOXAMIDE DERIVATIVES CCR2, CCR5, CNR2 NR1H4 297/4885PDK1 1499/4885PDK2 1061/4885

“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.