SCHEMBL3444359

SCHEMBL3444359

CCC(O)(c1ccccc1)C(C)CN1CCN(C)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
CHRM2 P08172 1/20 0.49
CHRM4 P08173 1/20 0.49
CHRM5 P08912 1/20 0.49
CHRM1 P11229 1/20 0.49
CHRM3 P20309 1/20 0.49
ATM Q13315 2/20 0.46
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.45
MEN1 O00255 9/20 0.44
KMT2A Q03164 9/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MC4R P32245 1/20 0.41
TSHR P16473 1/20 0.40

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
SCHEMBL3444981 0.87 ALPL (0.45) GAACHRM2CHRM4CHRM5CHRM1
SCHEMBL3444632 0.87 HPGD (0.41) GAACHRM2CHRM4CHRM5CHRM1
SCHEMBL3444990 0.86 HTT (0.56) GAAALDH1A1MEN1KMT2ANPSR1
SCHEMBL3444280 0.86 MAPT (0.47) GAAALDH1A1MC4RTSHR
SCHEMBL3444378 0.85 MAPT (0.47) GAACHRM2CHRM4CHRM5CHRM1
SCHEMBL3445072 0.84 SLC6A2 (0.51) GAACHRM2CHRM4CHRM3ALDH1A1
SCHEMBL3444876 0.84 SLC6A2 (0.46) GAACHRM2CHRM4CHRM5CHRM1
SCHEMBL3444255 0.84 SLC6A2 (0.46) ALDH1A1MEN1KMT2AMC4RTSHR
SCHEMBL3444755 0.84 MEN1 (0.53) MEN1KMT2ANPSR1MC4R
SCHEMBL3444821 0.82 HRH4 (0.49) GAAMEN1KMT2A

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
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
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
EP-1496904-A1 PHARMACEUTICAL CONTAINING N, N'-DISUBSTITUTED PIPERAZINE COMPOUNDS Grünenthal GmbH (DE) 2005-01-19 EP disclosed
EP-1492781-A1 N,N'-DISUBSTITUTED PIPERAZINE COMPOUNDS AND THE USE OF THE SAME AS ANALGESICS Grünenthal GmbH (DE) 2005-01-05 EP disclosed
WO-2003051369-A1 PHARMACEUTICAL CONTAINING N, N'-DISUBSTITUTED PIPERAZINE COMPOUNDS Grünenthal GmbH (DE) 2003-06-26 WO disclosed
WO-2003051855-A1 N,N'-DISUBSTITUTED PIPERAZINE COMPOUNDS AND THE USE OF THE SAME AS ANALGESICS Grünenthal GmbH (DE) 2003-06-26 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 (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 GAA 2345/4885CHRM2 1751/4885CHRM4 1744/4885
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 GAA 1242/4885CHRM2 2560/4885CHRM4 2621/4885

“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.