SCHEMBL632860

SCHEMBL632860

N#CC12CCC(CC1)N2Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.45
OPRK1 P41145 1/20 0.39
SIGMAR1 Q99720 4/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
ACHE P22303 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM1A O60341 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
CYP3A4 P08684 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL3297309 0.84 ABL1 (0.52) CHRM2HSD17B10
SCHEMBL3296851 0.82 SIGMAR1 (0.46) OPRM1OPRK1SIGMAR1CHRM2CHRM4
SCHEMBL3302221 0.77 MAPT (0.52) OPRM1OPRK1SIGMAR1CHRM2CHRM4
SCHEMBL771596 0.71 CYP3A4 (0.41) OPRK1SIGMAR1DRD2DRD4DRD3
SCHEMBL12881261 0.71 DPP4 (0.41) OPRM1OPRK1SIGMAR1DRD2DRD4
SCHEMBL5127061 0.70 SMN1; SMN2 (0.47) MEN1KMT2A
SCHEMBL25566963 0.70 KDM1A (0.47) OPRM1SIGMAR1DRD2DRD4DRD3
SCHEMBL3405118 0.70 OPRM1 (0.52) OPRM1SIGMAR1HRH3CYP3A4HSD17B10
SCHEMBL1203078 0.70 DRD2 (0.41) OPRK1SIGMAR1DRD2DRD4DRD3
SCHEMBL1904970 0.70 OPRM1 (0.42) OPRM1OPRK1SIGMAR1DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150344486-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CYCLACEL LIMITED (GB) 2015-12-03 US claimed
EP-2610256-A1 Pyrimidine derivatives as protein kinase inhibitors Cyclacel Limited (GB) 2013-07-03 EP claimed
US-9493471-B2 Pyrimidine derivatives as protein kinase inhibitors CYCLACEL LIMITED (GB) 2016-11-15 US disclosed
US-20150344486-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CYCLACEL LIMITED (GB) 2015-12-03 US disclosed
US-8809365-B2 1-substituted 2-azabicyclo [3.1.1] heptyl derivatives useful as nicotinic acetylcholine receptor modulators for treating neurologic disorders UNIVERSITEIT GENT (BE) 2014-08-19 US disclosed
US-8563542-B2 Pyrimidine derivatives as protein kinase inhibitors CYCLACEL LIMITED (GB) 2013-10-22 US disclosed
EP-2610256-A1 Pyrimidine derivatives as protein kinase inhibitors Cyclacel Limited (GB) 2013-07-03 EP disclosed
US-8389561-B2 Substituted 7-azabicyclo[2.2.1]heptyl derivatives useful for making pharmaceutical compositions UNIVERSITEIT GENT (BE) 2013-03-05 US disclosed
US-8389561-B2 Substituted 7-azabicyclo[2.2.1]heptyl derivatives useful for making pharmaceutical compositions UNIVERSITEIT GENT (BE) 2013-03-05 US disclosed
US-20120245196-A1 1-SUBSTITUTED 2-AZABICYCLO [3.1.1] HEPTYL DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS FOR TREATING NEUROLOGIC DISORDERS UNIVERSITEIT GENT (BE) 2012-09-27 US disclosed
EP-2496579-A1 1-SUBSTITUTED 2-AZABICYCLO [3.1.1]HEPTYL DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS FOR TREATING NEUROLOGIC DISORDERS Universiteit Gent (BE) 2012-09-12 EP disclosed
US-20110039106-A1 TRANSPORTER FORM FOR BASE METAL PARTICLES AND USE THEREOF ECKA GRANULATE GMBH & CO. KG (DE) 2011-02-17 US disclosed
US-7884125-B2 7-benzyl-7-azabicyclo[2.2.1]hept-1-ylmethyl)-pyridin-2-yl-amine, used for the treatment of diseases mediated by Nicotinic Acetylcholine Receptors, such as pain, Alzheimer's disease, Parkinson's disease, schizophrenia, epilepsy and drug addiction UNIVERSITEIT GENT (BE) 2011-02-08 US disclosed
US-7884112-B2 Glycogen phosphorylase inhibitor; antidiabetic agents; hypoglycemic agents; hypercholesterolemia; hypotensive agents; antilipemic agents; hypotensive agents; antiischemic agents BRADLEY STUART EDWARD 2011-02-08 US disclosed
US-7884125-B2 7-benzyl-7-azabicyclo[2.2.1]hept-1-ylmethyl)-pyridin-2-yl-amine, used for the treatment of diseases mediated by Nicotinic Acetylcholine Receptors, such as pain, Alzheimer's disease, Parkinson's disease, schizophrenia, epilepsy and drug addiction UNIVERSITEIT GENT (BE) 2011-02-08 US disclosed
WO-2010119222-A1 DERIVATIVES OF N-[(7-AZA-BICYCLO[2.2.1]HEPT-1-YL)-ARYL-METHYL]-BENZAMIDE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-10-21 WO disclosed
US-20100093807-A1 SUBSTITUTED 7-AZABICYCLO[2.2.1]HEPTYL DERIVATIVES USEFUL FOR MAKING PHARMACEUTICAL COMPOSITIONS UNIVERSITEIT GENT (BE) 2010-04-15 US disclosed
US-20100093807-A1 SUBSTITUTED 7-AZABICYCLO[2.2.1]HEPTYL DERIVATIVES USEFUL FOR MAKING PHARMACEUTICAL COMPOSITIONS UNIVERSITEIT GENT (BE) 2010-04-15 US disclosed
US-20090275616-A1 STRAIGHTFORWARD ENTRY TO 7-AZABICYCLO[2.2.1]HEPTANE-1-CARBONITRILES AND SUBSEQUENT SYNTHESIS OF EPIBATIDINE ANALOGUES UNIVERSITEIT GENT (BE) 2009-11-05 US disclosed
US-20090275616-A1 STRAIGHTFORWARD ENTRY TO 7-AZABICYCLO[2.2.1]HEPTANE-1-CARBONITRILES AND SUBSEQUENT SYNTHESIS OF EPIBATIDINE ANALOGUES UNIVERSITEIT GENT (BE) 2009-11-05 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 (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-20100093807-A1 SUBSTITUTED 7-AZABICYCLO[2.2.1]HEPTYL DERIVATIVES USEFUL FOR MAKING PHARMACEUTICAL COMPOSITIONS CHRNA7, CHRNA5, CHRNA6 OPRM1 43/4885OPRK1 30/4885SIGMAR1 364/4885
US-20120245196-A1 1-SUBSTITUTED 2-AZABICYCLO [3.1.1] HEPTYL DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS FOR TREATING NEUROLOGIC DISORDERS CHRNA2, CHRNA10, CHRNA3 OPRM1 39/4885OPRK1 31/4885SIGMAR1 335/4885
US-20090275616-A1 STRAIGHTFORWARD ENTRY TO 7-AZABICYCLO[2.2.1]HEPTANE-1-CARBONITRILES AND SUBSEQUENT SYNTHESIS OF EPIBATIDINE ANALOGUES CHRNA5, CHRNA7, CHRNA2 OPRM1 182/4885OPRK1 83/4885SIGMAR1 576/4885
US-20150344486-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS DCK, DTYMK, TK1 OPRM1 4644/4885OPRK1 3187/4885SIGMAR1 4621/4885

“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.