SCHEMBL852361

SCHEMBL852361

Nc1ccccc1NC1CCN(C2CCCCCCC2)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.71
GAA P10253 1/20 0.71
MAPT P10636 1/20 0.71
SLC18A3 Q16572 1/20 0.47
HDAC1 Q13547 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC2 Q92769 1/20 0.43
LMNA P02545 1/20 0.43
HRH3 Q9Y5N1 1/20 0.41
OPRM1 P35372 5/20 0.40
OGFRL1 Q5TC84 4/20 0.40
OPRK1 P41145 4/20 0.40
OPRD1 P41143 3/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
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
Phenylacetic Acid SCHEMBL27769859 0.86 KDM4E (0.53) KDM4EGAAMAPTHDAC1HDAC3
SCHEMBL29922301 0.84 KDM4E (1.00) KDM4EGAAMAPTHDAC1HDAC3
SCHEMBL5450859 0.84 KDM4E (1.00) KDM4EGAAMAPTHDAC1HDAC3
SCHEMBL17874938 0.84 KDM4E (1.00) KDM4EGAAMAPTHDAC1HDAC3
SCHEMBL541824 0.84 KDM4E (1.00) KDM4EGAAMAPTHDAC1HDAC3
SCHEMBL23016005 0.84 KDM4E (1.00) KDM4EGAAMAPTHDAC1HDAC3
SCHEMBL880536 0.83 KDM4E (0.48) KDM4EGAAMAPTSLC18A3LMNA
SCHEMBL13177688 0.82 KDM4E (0.50) KDM4EGAAMAPTOPRM1OPRK1
SCHEMBL13904217 0.82 SLC18A3 (0.47) KDM4EGAAMAPTSLC18A3LMNA
SCHEMBL2933468 0.82 KDM4E (0.96) KDM4EGAAMAPTHDAC1HDAC3

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3564240-A1 PIPERIDINE INTERMEDIATES Purdue Pharma L.P. (US) 2019-11-06 EP disclosed
US-9527840-B2 Substituted-quinoxaline-type piperidine compounds and the uses thereof PURDUE PHARMA L.P. (US) 2016-12-27 US disclosed
US-9527840-B2 Substituted-quinoxaline-type piperidine compounds and the uses thereof PURDUE PHARMA L.P. (US) 2016-12-27 US disclosed
EP-3101018-A1 SUBSTITUTED-QUINOXALINE-TYPE-PIPERIDINE COMPOUNDS AND THE USES THEREOF Purdue Pharma L.P. (US) 2016-12-07 EP disclosed
EP-2433937-B1 Substituted-quinoxaline-type-piperidine compounds and the uses thereof PURDUE PHARMA LP (US) 2016-06-29 EP disclosed
US-20160159785-A1 SUBSTITUTED-QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. 2016-06-09 US disclosed
US-20160159785-A1 SUBSTITUTED-QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. 2016-06-09 US disclosed
US-9278967-B2 Substituted-quinoxaline-type piperidine compounds and the uses thereof PURDUE PHARMA L.P. (US) 2016-03-08 US disclosed
US-9278967-B2 Substituted-quinoxaline-type piperidine compounds and the uses thereof PURDUE PHARMA L.P. (US) 2016-03-08 US disclosed
US-20150141643-A1 SUBSTITUTED-QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. 2015-05-21 US disclosed
US-20100022519-A1 HETEROCYCLIC-SUBSTITUTED PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. 2010-01-28 US disclosed
US-20100022519-A1 HETEROCYCLIC-SUBSTITUTED PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. 2010-01-28 US disclosed
WO-2009027820-A2 SUBSTITUTED-QUINOXALINE-TYPE-PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. (DE) 2009-03-05 WO disclosed
US-20080214827-A1 For severe and chronic pain; 1-(1-Cyclooctyl-piperidin-4-yl)-1,3-dihydro-benzoimidazol-2-ylidene-cyanamide and 2-[2-Cyanoimino-3-(1-cyclooctyl-piperidin-4-yl)-2,3-dihydro-benzoimidazol-1-yl]-acetamide EURO-CELTIQUE S.A. (US) 2008-09-04 US disclosed
US-20080214827-A1 For severe and chronic pain; 1-(1-Cyclooctyl-piperidin-4-yl)-1,3-dihydro-benzoimidazol-2-ylidene-cyanamide and 2-[2-Cyanoimino-3-(1-cyclooctyl-piperidin-4-yl)-2,3-dihydro-benzoimidazol-1-yl]-acetamide EURO-CELTIQUE S.A. (US) 2008-09-04 US disclosed
US-20080214827-A1 For severe and chronic pain; 1-(1-Cyclooctyl-piperidin-4-yl)-1,3-dihydro-benzoimidazol-2-ylidene-cyanamide and 2-[2-Cyanoimino-3-(1-cyclooctyl-piperidin-4-yl)-2,3-dihydro-benzoimidazol-1-yl]-acetamide EURO-CELTIQUE S.A. (US) 2008-09-04 US disclosed
WO-2008089201-A2 HETEROCYCLIC-SUBSTITUTED PIPERIDINE AS ORL-1 LIGANDS PURDUE PHARMA L.P. (US) 2008-07-24 WO disclosed
EP-1711484-A4 SYNTHESIS OF CYANOIMINO-BENZOIMIDAZOLES EURO CELTIQUE SA (LU) 2007-06-20 EP disclosed
EP-1711484-A1 SYNTHESIS OF CYANOIMINO-BENZOIMIDAZOLES EURO-CELTIQUE S.A. (LU) 2006-10-18 EP disclosed
WO-2005075459-A1 SYNTHESIS OF CYANOIMINO-BENZOIMIDAZOLES EURO-CELTIQUE S.A. (LU) 2005-08-18 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 (4 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-20160159785-A1 SUBSTITUTED-QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND THE USES THEREOF P2RX4, P2RX5, P2RX3 KDM4E 965/4885GAA 1694/4885MAPT 2731/4885
US-20100022519-A1 HETEROCYCLIC-SUBSTITUTED PIPERIDINE COMPOUNDS AND THE USES THEREOF TRPV1, P2RX4, TRPA1 KDM4E 2037/4885GAA 2268/4885MAPT 2597/4885
US-20150141643-A1 SUBSTITUTED-QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND THE USES THEREOF P2RX4, P2RX5, P2RX3 KDM4E 965/4885GAA 1694/4885MAPT 2731/4885
US-20080214827-A1 For severe and chronic pain; 1-(1-Cyclooctyl-piperidin-4-yl)-1,3-dihydro-benzoimidazol-2-ylidene-cyanamide and 2-[2-Cyanoimino-3-(1-cyclooctyl-piperidin-4-yl)-2,3-dihydro-benzoimidazol-1-yl]-acetamide CNR2, CNR1, TRPV1 KDM4E 2068/4885GAA 3660/4885MAPT 3788/4885

“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.