SCHEMBL2490255

SCHEMBL2490255

CC(C)(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)C1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 13/20 0.63
KCNH2 Q12809 7/20 0.63
CCR5 P51681 1/20 0.60
MAPT P10636 3/20 0.55
ALDH1A1 P00352 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
SCHEMBL29372041 0.92 CCR2 (0.63) CCR2KCNH2CCR5MAPT
SCHEMBL2492309 0.92 CCR2 (0.63) CCR2KCNH2CCR5MAPT
SCHEMBL13829072 0.91 CCR2 (0.62) CCR2KCNH2CCR5MAPT
SCHEMBL1943067 0.91 CCR2 (0.76) CCR2KCNH2CCR5
SCHEMBL1942782 0.91 CCR2 (0.76) CCR2KCNH2CCR5
SCHEMBL2489338 0.88 CCR2 (0.58) CCR2KCNH2CCR5MAPT
SCHEMBL13829019 0.87 CCR2 (0.60) CCR2KCNH2CCR5MAPT
SCHEMBL2487141 0.87 CCR2 (0.64) CCR2KCNH2CCR5
SCHEMBL13303701 0.86 CCR2 (0.59) CCR2KCNH2CCR5MAPT
SCHEMBL2488378 0.86 CCR2 (0.58) 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 14 patents. 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
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
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 1324/4885CCR5 2/4885
US-20100152197-A1 (4-TERT-BUTYLPIPERAZIN-2-YL)(PIPERAZIN-1-YL)METHANONE-N-CARBOXAMIDE DERIVATIVES CCR2, CCR5, CNR2 CCR2 1/4885KCNH2 1324/4885CCR5 2/4885
US-20120289513-A1 (4-TERT-BUTYLPIPERAZIN-2-YL)(PIPERAZIN-1-YL)METHANONE-N-CARBOXAMIDE DERIVATIVES CCR2, CCR5, CNR2 CCR2 1/4885KCNH2 1324/4885CCR5 2/4885

“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.