SCHEMBL551401

SCHEMBL551401

O=C1CCN(C2CCCCCCC2)CC1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.46
OPRL1 P41146 4/20 0.46
OPRK1 P41145 2/20 0.42
SLC18A3 Q16572 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 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
SCHEMBL7634170 1.00 OPRM1 (0.46) OPRM1OPRL1OPRK1SLC18A3MEN1
SCHEMBL7633925 1.00 OPRM1 (0.46) OPRM1OPRL1OPRK1SLC18A3MEN1
SCHEMBL21047675 1.00 OPRM1 (0.46) OPRM1OPRL1OPRK1SLC18A3MEN1
SCHEMBL1181799 1.00 OPRM1 (0.46) OPRM1OPRL1OPRK1SLC18A3MEN1
SCHEMBL6628090 0.98 OPRM1 (0.43) OPRM1OPRL1OPRK1SLC18A3MEN1
SCHEMBL4213726 0.93 MAPK1 (0.43) OPRM1OPRL1OPRK1SLC18A3MEN1
SCHEMBL863893 0.89 L3MBTL3 (0.41) OPRM1OPRL1MEN1KMT2A
SCHEMBL121604 0.87 L3MBTL3 (0.34) OPRM1OPRL1OPRK1ALDH1A1HRH3
SCHEMBL21047783 0.86 OPRM1 (0.43) OPRM1OPRL1OPRK1SLC18A3MEN1
SCHEMBL21047786 0.86 OPRM1 (0.43) OPRM1OPRL1OPRK1SLC18A3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3495341-B1 PREPARATION PROCESS OF PERFLUOROALKYL COMPOUND WITH MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL KANTO DENKA KOGYO KK (JP) 2022-11-02 EP disclosed
CN-109563016-B Method for producing perfluoroalkyl compound using monohydroperfluoroalkane as starting material 关东电化工业株式会社 2022-05-13 CN disclosed
EP-3564240-A1 PIPERIDINE INTERMEDIATES Purdue Pharma L.P. (US) 2019-11-06 EP disclosed
EP-3564240-A1 PIPERIDINE INTERMEDIATES Purdue Pharma L.P. (US) 2019-11-06 EP disclosed
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material KANTO DENKA KOGYO CO., LTD. (JP) 2019-10-22 US disclosed
EP-3495341-A1 METHOD FOR PRODUCING PERFLUOROALKYL COMPOUND USING MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL Kanto Denka Kogyo Co., Ltd. (JP) 2019-06-12 EP disclosed
US-20190169107-A1 PREPARATION PROCESS OF PERFLUOROALKYL COMPOUND WITH MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL NATIONAL UNIVERSITY CORPORATION GUNMA UNIVERSITY (JP) 2019-06-06 US disclosed
CN-109563016-A Using single hydrogen perfluoro alkane as the manufacturing method of the all-fluoroalkyl compound of starting material 关东电化工业株式会社 2019-04-02 CN 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-2076506-A2 HETEROCYCLIC-SUBSTITUTED PIPERIDINES AS ORL-1 LIGANDS Purdue Pharma L.P. (US) 2009-07-08 EP 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
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 (3 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-20190169107-A1 PREPARATION PROCESS OF PERFLUOROALKYL COMPOUND WITH MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL PFKFB1, PFKFB4, PFAS OPRM1 1846/4885OPRL1 3095/4885OPRK1 1117/4885
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 OPRM1 68/4885OPRL1 14/4885OPRK1 4/4885
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material PFKFB1, PFKFB4, PFAS OPRM1 1846/4885OPRL1 3095/4885OPRK1 1117/4885

“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.