SCHEMBL2734633

SCHEMBL2734633

CNC1CCN(Cc2ccc(-c3ccccc3)cc2)C1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.61
DRD4 P21917 7/20 0.61
BCHE P06276 8/20 0.58
ACHE P22303 7/20 0.58
BACE1 P56817 7/20 0.58
CYP2D6 P10635 1/20 0.53
MCHR1 Q99705 1/20 0.52
HRH3 Q9Y5N1 1/20 0.51

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
SCHEMBL242759 0.91 ACHE (0.69) DRD2DRD4BCHEACHEBACE1
SCHEMBL242760 0.91 ACHE (0.69) DRD2DRD4BCHEACHEBACE1
SCHEMBL724604 0.91 ACHE (0.69) DRD2DRD4BCHEACHEBACE1
Bromide SCHEMBL2497824 0.89 ACHE (0.68) DRD2DRD4BCHEACHEBACE1
SCHEMBL23507476 0.83 BCHE (0.63) DRD2DRD4BCHEACHEBACE1
SCHEMBL12074791 0.83 ACHE (0.66) DRD2DRD4BCHEACHEBACE1
SCHEMBL18403923 0.83 LMNA (0.51) BCHEACHEBACE1HRH3
SCHEMBL12074553 0.83 BACE1 (0.51) BCHEACHEBACE1HRH3
SCHEMBL350928 0.82 CYP1A2 (0.60) BCHEACHEBACE1CYP2D6
SCHEMBL6128786 0.82 CYP1A2 (0.60) BCHEACHEBACE1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829568-B2 Substituted 5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylamine compounds and their use for producing drugs GRUENENTHAL GMBH (DE) 2010-11-09 US claimed
EP-1716128-B1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YLAMINE COMPOUNDS GRUENENTHAL GMBH (DE) 2010-03-31 EP claimed
EP-1869038-B1 SUBSTITUTED 5,6,7,8-TETRAHYDRO-IMIDAZO[1,2-A]PYRIDIN-2-YLAMINE COMPOUNDS AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2009-07-08 EP claimed
US-20080300256-A1 Substituted 5,6,7,8-Tetrahydroimidazo[1,2-a]pyridin-2-ylamine Compounds and Their Use for Producing Drugs GRUENENTHAL GMBH (DE) 2008-12-04 US claimed
US-8088763-B2 e.g. N-[1-(2,6-dichloro-benzyl)-pyrrolidin-3-yl]-N'-[4-dimethylamino-4-(4-methyl-benzyl)-cyclohexyl]-succinamide; noradrenaline and serotonin reuptake ihibitor; opioid ORL-1 receptor ligand; analgesic, antidepressant, anxiolytic agent, neurodegenerative diseases GRUENENTHAL GMBH (DE) 2012-01-03 US disclosed
US-8088763-B2 e.g. N-[1-(2,6-dichloro-benzyl)-pyrrolidin-3-yl]-N'-[4-dimethylamino-4-(4-methyl-benzyl)-cyclohexyl]-succinamide; noradrenaline and serotonin reuptake ihibitor; opioid ORL-1 receptor ligand; analgesic, antidepressant, anxiolytic agent, neurodegenerative diseases GRUENENTHAL GMBH (DE) 2012-01-03 US disclosed
US-7829568-B2 Substituted 5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylamine compounds and their use for producing drugs GRUENENTHAL GMBH (DE) 2010-11-09 US disclosed
EP-1716128-B1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YLAMINE COMPOUNDS GRUENENTHAL GMBH (DE) 2010-03-31 EP disclosed
US-20080300256-A1 Substituted 5,6,7,8-Tetrahydroimidazo[1,2-a]pyridin-2-ylamine Compounds and Their Use for Producing Drugs GRUENENTHAL GMBH (DE) 2008-12-04 US disclosed
US-7348347-B2 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds GRUENENTHAL GMBH (DE) 2008-03-25 US disclosed
US-7348347-B2 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds GRUENENTHAL GMBH (DE) 2008-03-25 US disclosed
US-20070112007-A1 Cyclohexyl-1, 4-diamine compounds GRUENENTHAL GMBH (DE) 2007-05-17 US disclosed
US-20070112007-A1 Cyclohexyl-1, 4-diamine compounds GRUENENTHAL GMBH (DE) 2007-05-17 US disclosed
US-20070027315-A1 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds GRUENENTHAL GMBH (DE) 2007-02-01 US disclosed
US-20070027315-A1 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds GRUENENTHAL GMBH (DE) 2007-02-01 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 (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-20070112007-A1 Cyclohexyl-1, 4-diamine compounds PKD1, DDC, DPYD DRD2 2201/4885DRD4 1574/4885BCHE 894/4885
US-20080300256-A1 Substituted 5,6,7,8-Tetrahydroimidazo[1,2-a]pyridin-2-ylamine Compounds and Their Use for Producing Drugs CYP3A7, CYP3A5, CYP2D6 DRD2 2542/4885DRD4 2654/4885BCHE 1195/4885
US-20070027315-A1 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds TPH2, HTR6, TPH1 DRD2 1287/4885DRD4 1102/4885BCHE 1832/4885

“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.