SCHEMBL3445355

SCHEMBL3445355

CCC(O)(c1ccccc1)C(C)CN1CCN(c2cccc(Cl)c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
TSHR P16473 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
MAPT P10636 1/20 0.56
ALOX15 P16050 1/20 0.56
CYP2C19 P33261 1/20 0.56
HIF1A Q16665 1/20 0.56
LMNA P02545 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
GMNN O75496 1/20 0.55
BLM P54132 1/20 0.55
PMP22 Q01453 1/20 0.55
RECQL P46063 2/20 0.49
IGF1R P08069 1/20 0.49
MAPK1 P28482 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL3445070 0.94 MEN1 (0.51) MEN1KMT2ATSHRCYP1A2CYP3A4
SCHEMBL3444171 0.93 MEN1 (0.53) MEN1KMT2ATSHRCYP1A2CYP3A4
SCHEMBL3443537 0.91 MEN1 (0.48) MEN1KMT2ATSHRCYP1A2CYP3A4
SCHEMBL3443523 0.91 MAPT (0.48) MEN1KMT2ATSHRCYP1A2CYP3A4
SCHEMBL3444483 0.90 MAPT (0.50) MEN1KMT2ATSHRCYP1A2CYP3A4
SCHEMBL3443871 0.90 SLC6A2 (0.50) MEN1KMT2ATSHRCYP1A2CYP3A4
SCHEMBL3443532 0.89 IGF1R (0.48) MEN1KMT2ATSHRCYP1A2CYP3A4
SCHEMBL3444291 0.89 MEN1 (0.47) MEN1KMT2ATSHRCYP1A2CYP3A4
SCHEMBL3444624 0.89 LMNA (0.52) MEN1KMT2ATSHRMAPTLMNA
SCHEMBL3445818 0.88 KCNH2 (0.56) TSHRMAPTLMNARECQLIGF1R

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 MEN1 4288/4885KMT2A 2869/4885TSHR 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 MEN1 1832/4885KMT2A 3050/4885TSHR 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.