SCHEMBL2491167

SCHEMBL2491167

CC(C)(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)C1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 11/20 0.59
KCNH2 Q12809 5/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 1/20 0.51
CCR5 P51681 1/20 0.48
GOT1 P17174 1/20 0.48
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
GRIN2B Q13224 3/20 0.48
TRPV1 Q8NER1 1/20 0.46

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
SCHEMBL13346094 0.86 CCR2 (0.56) CCR2KCNH2LMNAMAPTCCR5
SCHEMBL2492270 0.86 CCR2 (0.61) CCR2KCNH2MAPTCCR5GOT1
SCHEMBL2488167 0.86 CCR2 (0.54) CCR2KCNH2MAPTCCR5
SCHEMBL1944700 0.86 CCR2 (0.67) CCR2KCNH2LMNAMAPTCCR5
SCHEMBL2489258 0.84 CCR2 (0.56) CCR2KCNH2MAPTCCR5HTT
SCHEMBL2489338 0.84 CCR2 (0.58) CCR2KCNH2MAPTCCR5TRPV1
SCHEMBL2514171 0.84 CCR2 (0.52) CCR2KCNH2LMNACCR5HTT
SCHEMBL13829072 0.83 CCR2 (0.62) CCR2KCNH2MAPTCCR5
SCHEMBL13829019 0.82 CCR2 (0.60) CCR2KCNH2LMNAMAPTCCR5
SCHEMBL1943067 0.81 CCR2 (0.76) CCR2KCNH2CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379519-A1 (4-TERT-BUTYLPIPERAZIN-2-YL)(PIPERAZIN-1-YL)METHANONE-N-CARBOXAMIDE DERIVATIVES AstraZeneca AB (SE) 2011-10-26 EP claimed
WO-2010071567-A1 (4-TERT-BUTYLPIPERAZIN-2-YL)(PIPERAZIN-1-YL)METHANONE-N-CARBOXAMIDE DERIVATIVES ASTRAZENECA AB (SE) 2010-06-24 WO claimed
EP-2727913-A1 (4-Tert-butylpiperazin-2-yl)(piperazin-1-yl)methanone-N-carboxamide derivatives Astrazeneca AB (SE) 2014-05-07 EP disclosed
EP-2727913-A1 (4-Tert-butylpiperazin-2-yl)(piperazin-1-yl)methanone-N-carboxamide derivatives Astrazeneca AB (SE) 2014-05-07 EP disclosed
US-20130289043-A1 (4-TERT-BUTYLPIPERAZIN-2-YL)(PIPERAZIN-1-YL)METHANONE-N-CARBOXAMIDE DERIVATIVES ASTRAZENECA AB (SE) 2013-10-31 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
US-20130289043-A1 (4-TERT-BUTYLPIPERAZIN-2-YL)(PIPERAZIN-1-YL)METHANONE-N-CARBOXAMIDE DERIVATIVES ASTRAZENECA AB (SE) 2013-10-31 US 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-20120289513-A1 (4-TERT-BUTYLPIPERAZIN-2-YL)(PIPERAZIN-1-YL)METHANONE-N-CARBOXAMIDE DERIVATIVES ASTRAZENECA AB (SE) 2012-11-15 US disclosed
US-20120289513-A1 (4-TERT-BUTYLPIPERAZIN-2-YL)(PIPERAZIN-1-YL)METHANONE-N-CARBOXAMIDE DERIVATIVES ASTRAZENECA AB (SE) 2012-11-15 US disclosed
EP-2379519-A1 (4-TERT-BUTYLPIPERAZIN-2-YL)(PIPERAZIN-1-YL)METHANONE-N-CARBOXAMIDE DERIVATIVES AstraZeneca AB (SE) 2011-10-26 EP disclosed
WO-2010071567-A1 (4-TERT-BUTYLPIPERAZIN-2-YL)(PIPERAZIN-1-YL)METHANONE-N-CARBOXAMIDE DERIVATIVES ASTRAZENECA AB (SE) 2010-06-24 WO 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-20100152197-A1 (4-TERT-BUTYLPIPERAZIN-2-YL)(PIPERAZIN-1-YL)METHANONE-N-CARBOXAMIDE DERIVATIVES ASTRAZENECA AB (SE) 2010-06-17 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 (3 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 CCR2 1/4885KCNH2 1324/4885LMNA 3367/4885
US-20100152197-A1 (4-TERT-BUTYLPIPERAZIN-2-YL)(PIPERAZIN-1-YL)METHANONE-N-CARBOXAMIDE DERIVATIVES CCR2, CCR5, CNR2 CCR2 1/4885KCNH2 1324/4885LMNA 3367/4885
US-20120289513-A1 (4-TERT-BUTYLPIPERAZIN-2-YL)(PIPERAZIN-1-YL)METHANONE-N-CARBOXAMIDE DERIVATIVES CCR2, CCR5, CNR2 CCR2 1/4885KCNH2 1324/4885LMNA 3367/4885

“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.