SCHEMBL3445818

SCHEMBL3445818

CCC(O)(c1cccc(OC)c1)C(C)CN1CCN(c2cccc(Cl)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.56
MAPT P10636 4/20 0.53
TSHR P16473 1/20 0.53
HTR7 P34969 3/20 0.51
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
DRD4 P21917 1/20 0.50
DRD2 P14416 1/20 0.48
CACNA1G O43497 1/20 0.48
MAPK1 P28482 1/20 0.48
RECQL P46063 1/20 0.48
IGF1R P08069 1/20 0.48
LMNA P02545 1/20 0.47
THRB P10828 1/20 0.46
TP53 P04637 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
SCHEMBL3444624 0.91 LMNA (0.52) KCNH2MAPTTSHRHTR7ALDH1A1
SCHEMBL3445070 0.91 MEN1 (0.51) KCNH2MAPTTSHRHTR7RECQL
SCHEMBL3445355 0.88 MEN1 (0.56) MAPTTSHRALDH1A1MAPK1RECQL
SCHEMBL3444483 0.87 MAPT (0.50) MAPTTSHRHTR7MAPK1RECQL
SCHEMBL3444291 0.86 MEN1 (0.47) MAPTTSHRHTR7SMN1; SMN2RECQL
SCHEMBL3443532 0.86 IGF1R (0.48) MAPTTSHRKDM4EALDH1A1SMN1; SMN2
SCHEMBL3444171 0.86 MEN1 (0.53) KCNH2MAPTTSHRHTR7MAPK1
SCHEMBL3443523 0.84 MAPT (0.48) MAPTTSHRHTR7MAPK1RECQL
SCHEMBL3443537 0.84 MEN1 (0.48) KCNH2MAPTTSHRHTR7RECQL
SCHEMBL3444821 0.83 HRH4 (0.49) KCNH2MAPTSMN1; SMN2DRD2CACNA1G

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 11 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

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 KCNH2 365/4885MAPT 1180/4885TSHR 4067/4885
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 KCNH2 806/4885MAPT 666/4885TSHR 3060/4885

“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.