SCHEMBL3444255

SCHEMBL3444255

CCC(O)(c1cccc(Cl)c1)C(C)CN1CCN(C)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.46
SLC6A3 Q01959 7/20 0.46
SLC6A4 P31645 2/20 0.46
MC4R P32245 1/20 0.43
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
KCNH2 Q12809 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.39

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
SCHEMBL3443905 0.87 HTT (0.43) SLC6A2SLC6A3SLC6A4MC4RHTT
SCHEMBL3445070 0.87 MEN1 (0.51) MEN1KMT2AKCNH2TSHR
SCHEMBL3444378 0.86 MAPT (0.47) SLC6A2KCNH2ALDH1A1
SCHEMBL3445072 0.85 SLC6A2 (0.51) SLC6A2MC4RMEN1KMT2ADRD2
SCHEMBL3444876 0.85 SLC6A2 (0.46) SLC6A2MC4RALDH1A1
SCHEMBL3444990 0.85 HTT (0.56) SLC6A2MC4RHTTMEN1KMT2A
SCHEMBL3444359 0.84 GAA (0.50) MC4RMEN1KMT2AALDH1A1TSHR
SCHEMBL3444821 0.83 HRH4 (0.49) SLC6A2MEN1KMT2ADRD2KCNH2
SCHEMBL3444777 0.83 HTT (0.43) SLC6A2SLC6A3SLC6A4MC4RHTT
SCHEMBL3445355 0.81 MEN1 (0.56) MEN1KMT2AALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7390812-B2 N, N'-disubstituted piperazine compounds and their use as analgesics GRUENENTHAL GMBH (DE) 2008-06-24 US claimed
EP-1496904-B1 USE OF PHARMACEUTICALS CONTAINING N, N'-DISUBSTITUTED PIPERAZINE COMPOUNDS GRUENENTHAL GMBH (DE) 2007-08-15 EP claimed
EP-1492781-B1 N,N'-DISUBSTITUTED PIPERAZINE COMPOUNDS AND THE USE OF THE SAME AS ANALGESICS GRUENENTHAL GMBH (DE) 2006-03-08 EP claimed
US-20050038034-A1 Pharmaceutical formulations comprising N,N'-disubstituted piperazine compounds GRUNENTHAL GMBH (DE) 2005-02-17 US claimed
US-20050026926-A1 N, N'-disubstituted piperazine compounds and their use as analgesics GRUENENTHAL GMBH (DE) 2005-02-03 US claimed
EP-1496904-A1 PHARMACEUTICAL CONTAINING N, N'-DISUBSTITUTED PIPERAZINE COMPOUNDS Grünenthal GmbH (DE) 2005-01-19 EP claimed
WO-2003051369-A1 PHARMACEUTICAL CONTAINING N, N'-DISUBSTITUTED PIPERAZINE COMPOUNDS Grünenthal GmbH (DE) 2003-06-26 WO claimed
US-7816358-B2 Pharmaceutical formulations comprising N,N′-disubstituted piperazine compounds GRUENENTHAL GMBH (DE) 2010-10-19 US disclosed
US-7390812-B2 N, N'-disubstituted piperazine compounds and their use as analgesics GRUENENTHAL GMBH (DE) 2008-06-24 US disclosed
EP-1496904-B1 USE OF PHARMACEUTICALS CONTAINING N, N'-DISUBSTITUTED PIPERAZINE COMPOUNDS GRUENENTHAL GMBH (DE) 2007-08-15 EP disclosed
EP-1492781-B1 N,N'-DISUBSTITUTED PIPERAZINE COMPOUNDS AND THE USE OF THE SAME AS ANALGESICS GRUENENTHAL GMBH (DE) 2006-03-08 EP disclosed
US-20050038034-A1 Pharmaceutical formulations comprising N,N'-disubstituted piperazine compounds GRUNENTHAL GMBH (DE) 2005-02-17 US disclosed
US-20050026926-A1 N, N'-disubstituted piperazine compounds and their use as analgesics GRUENENTHAL GMBH (DE) 2005-02-03 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 (2 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-20050026926-A1 N, N'-disubstituted piperazine compounds and their use as analgesics OPRL1, OPRK1, OPRM1 SLC6A2 308/4885SLC6A3 762/4885SLC6A4 292/4885
US-20050038034-A1 Pharmaceutical formulations comprising N,N'-disubstituted piperazine compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NNT, AANAT SLC6A2 96/4885SLC6A3 498/4885SLC6A4 74/4885

“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.