SCHEMBL4932287

SCHEMBL4932287

N#C/N=c1\[nH]c2ccccc2n1C1CCN(C2CCCCCCC2)CC1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 7/20 0.62
CHRM2 P08172 4/20 0.62
CHRM4 P08173 4/20 0.62
CHRM3 P20309 3/20 0.62
OPRL1 P41146 9/20 0.61
OPRM1 P35372 8/20 0.61
OPRK1 P41145 7/20 0.61
OPRD1 P41143 6/20 0.61
OGFRL1 Q5TC84 1/20 0.47
SLC18A3 Q16572 1/20 0.46
CHRM5 P08912 2/20 0.42
DRD2 P14416 2/20 0.42
ADRA1D P25100 1/20 0.42
HTR2C P28335 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42

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
SCHEMBL14070536 1.00 CHRM1 (0.62) CHRM1CHRM2CHRM4CHRM3OPRL1
SCHEMBL4932296 1.00 CHRM1 (0.62) CHRM1CHRM2CHRM4CHRM3OPRL1
SCHEMBL1863570 0.82 OPRM1 (0.47) CHRM1CHRM2CHRM4CHRM3OPRL1
SCHEMBL1863569 0.82 OPRM1 (0.47) CHRM1CHRM2CHRM4CHRM3OPRL1
SCHEMBL1860949 0.81 OPRL1 (0.53) CHRM1CHRM2CHRM4CHRM3OPRL1
SCHEMBL1860947 0.81 OPRL1 (0.53) CHRM1CHRM2CHRM4CHRM3OPRL1
Hydrochloric Acid SCHEMBL11101940 0.80 OPRM1 (0.41) CHRM1CHRM2CHRM4CHRM3OPRL1
SCHEMBL15853826 0.79 CHRM1 (0.63) CHRM1CHRM2CHRM4CHRM3OPRL1
SCHEMBL17251623 0.79 CHRM1 (0.63) CHRM1CHRM2CHRM4CHRM3OPRL1
SCHEMBL4572894 0.77 CHRM1 (1.00) CHRM1CHRM2CHRM4CHRM3OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9598411-B2 Substituted benzimidazole-type piperidine compounds and uses thereof PURDUE PHARMA L.P. (US) 2017-03-21 US disclosed
US-9598411-B2 Substituted benzimidazole-type piperidine compounds and uses thereof PURDUE PHARMA L.P. (US) 2017-03-21 US disclosed
US-9598411-B2 Substituted benzimidazole-type piperidine compounds and uses thereof PURDUE PHARMA L.P. (US) 2017-03-21 US disclosed
US-20150322066-A1 SUBSTITUTED BENZIMIDAZOLE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF PURDUE PHARMA L.P. 2015-11-12 US disclosed
US-20150322066-A1 SUBSTITUTED BENZIMIDAZOLE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF PURDUE PHARMA L.P. 2015-11-12 US disclosed
US-20150322066-A1 SUBSTITUTED BENZIMIDAZOLE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF PURDUE PHARMA L.P. 2015-11-12 US disclosed
US-9090618-B2 Substituted benzimidazole-type piperidine compounds and uses thereof PURDUE PHARMA L.P. (US) 2015-07-28 US disclosed
US-9090618-B2 Substituted benzimidazole-type piperidine compounds and uses thereof PURDUE PHARMA L.P. (US) 2015-07-28 US disclosed
US-9090618-B2 Substituted benzimidazole-type piperidine compounds and uses thereof PURDUE PHARMA L.P. (US) 2015-07-28 US disclosed
US-20140187535-A1 SUBSTITUTED BENZIMIDAZOLE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF SHIONOGI & CO., LTD. (JP) 2014-07-03 US disclosed
US-20140187535-A1 SUBSTITUTED BENZIMIDAZOLE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF SHIONOGI & CO., LTD. (JP) 2014-07-03 US disclosed
US-20140187535-A1 SUBSTITUTED BENZIMIDAZOLE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF SHIONOGI & CO., LTD. (JP) 2014-07-03 US disclosed
WO-2014102594-A2 SUBSTITUTED BENZIMIDAZOLE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF PURDUE PHARMA L.P. (US) 2014-07-03 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
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-20140187535-A1 SUBSTITUTED BENZIMIDAZOLE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF H1-0, H1-3, CACNA1A CHRM1 639/4885CHRM2 1015/4885CHRM4 2031/4885
US-20150322066-A1 SUBSTITUTED BENZIMIDAZOLE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF H1-0, H1-3, CACNA1A CHRM1 639/4885CHRM2 1015/4885CHRM4 2031/4885
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 CHRM1 587/4885CHRM2 858/4885CHRM4 1202/4885

“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.