SCHEMBL3446137

SCHEMBL3446137

Cc1ccc(C2(O)CCCCC2CN2CCN(C)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
SLC6A3 Q01959 1/20 0.41
OPRM1 P35372 8/20 0.39
HTR2C P28335 1/20 0.39
SLC6A9 P48067 2/20 0.38
SLC6A5 Q9Y345 1/20 0.38
OPRL1 P41146 3/20 0.38
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
OPRD1 P41143 3/20 0.38
OPRK1 P41145 3/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL3443526 0.99 KMT2A (0.40) KMT2ASLC6A3OPRM1HTR2CSLC6A9
SCHEMBL3992857 0.91 KMT2A (0.43) KMT2ASLC6A3OPRM1HTR2CSLC6A9
SCHEMBL3820386 0.90 KMT2A (0.43) KMT2ASLC6A3OPRM1HTR2CSLC6A9
SCHEMBL3990504 0.90 KMT2A (0.43) KMT2ASLC6A3OPRM1HTR2CSLC6A9
SCHEMBL3819910 0.90 KMT2A (0.43) KMT2ASLC6A3OPRM1HTR2CSLC6A9
SCHEMBL3990516 0.90 KMT2A (0.43) KMT2ASLC6A3OPRM1HTR2CSLC6A9
SCHEMBL3444024 0.89 SLC6A2 (0.46) KMT2ASLC6A3OPRM1SLC6A9SLC6A5
SCHEMBL3444162 0.88 CNR2 (0.45) KMT2ASLC6A3OPRM1SLC6A9SLC6A2
SCHEMBL3444664 0.88 OPRM1 (0.53) KMT2ASLC6A3OPRM1OPRL1SLC6A2
SCHEMBL3444264 0.87 CNR2 (0.44) KMT2ASLC6A3OPRM1SLC6A9SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816358-B2 Pharmaceutical formulations comprising N,N′-disubstituted piperazine compounds GRUENENTHAL GMBH (DE) 2010-10-19 US claimed
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 KMT2A 2869/4885SLC6A3 762/4885OPRM1 3/4885
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 KMT2A 3050/4885SLC6A3 498/4885OPRM1 386/4885

“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.