SCHEMBL5336469

SCHEMBL5336469

CN(C)CCCc1cccc(O)c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.57
DRD3 P35462 4/20 0.57
DRD1 P21728 2/20 0.57
DRD4 P21917 1/20 0.57
DRD5 P21918 1/20 0.57
OPRK1 P41145 7/20 0.56
OPRM1 P35372 6/20 0.54
OPRD1 P41143 6/20 0.54
TAAR1 Q96RJ0 1/20 0.53
CHRM2 P08172 1/20 0.53
CHRM1 P11229 1/20 0.53
CHRM3 P20309 1/20 0.53
SIGMAR1 Q99720 1/20 0.52

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
SCHEMBL43344 0.89 DRD2 (0.66) DRD2DRD3DRD1DRD4DRD5
Hydrochloric Acid SCHEMBL4067518 0.87 DRD2 (0.64) DRD2DRD3DRD1DRD4DRD5
SCHEMBL18762842 0.86 SIGMAR1 (0.61) DRD3DRD1OPRM1TAAR1CHRM2
SCHEMBL31674607 0.82 DRD2 (0.68) DRD2DRD3DRD1DRD4DRD5
SCHEMBL28368586 0.82 DRD2 (0.68) DRD2DRD3DRD1DRD4DRD5
SCHEMBL11232474 0.82 DRD2 (0.68) DRD2DRD3DRD1DRD4DRD5
SCHEMBL9670825 0.80 SIGMAR1 (0.70) TAAR1SIGMAR1
SCHEMBL8398287 0.80 MGLL (0.68) DRD2DRD3DRD1DRD4DRD5
SCHEMBL21002079 0.80 MGLL (0.68) DRD2DRD3DRD1DRD4DRD5
SCHEMBL26548204 0.80 MGLL (0.68) DRD2DRD3DRD1DRD4DRD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3728280-B1 METHOD FOR IMPROVING THE ORAL BIOAVAILABILITY OF A DRUG PHARMACYTICS B V (NL) 2023-06-28 EP disclosed
EP-3995492-A1 A TWO-STEP PROCESS FOR PREPARING 3-SUBSTITUTED PHENYLALKYLAMINES SpecGx LLC (US) 2022-05-11 EP disclosed
EP-3319941-B1 A TWO-STEP PROCESS FOR PREPARING 3-SUBSTITUTED PHENYLALKYLAMINES SpecGx LLC (US) 2021-12-29 EP disclosed
US-9783500-B2 2-aminoquinoline-based compounds for potent and selective neuronal nitric oxide synthase inhibition NORTHWESTERN UNIVERSITY (US) 2017-10-10 US disclosed
US-9783500-B2 2-aminoquinoline-based compounds for potent and selective neuronal nitric oxide synthase inhibition NORTHWESTERN UNIVERSITY (US) 2017-10-10 US disclosed
US-9663468-B2 2-aminoquinoline-based compounds for potent and selective neuronal nitric oxide synthase inhibition NORTHWESTERN UNIVERSITY (US) 2017-05-30 US disclosed
US-9663468-B2 2-aminoquinoline-based compounds for potent and selective neuronal nitric oxide synthase inhibition NORTHWESTERN UNIVERSITY (US) 2017-05-30 US disclosed
EP-3170494-A2 TAPENTADOL COMPOSITIONS Grünenthal GmbH (DE) 2017-05-24 EP disclosed
WO-2017011231-A1 A TWO-STEP PROCESS FOR PREPARING 3-SUBSTITUTED PHENYLALKYLAMINES MALLINCKRODT LLC (US) 2017-01-19 WO disclosed
US-20160368877-A1 2-Aminoquinoline-Based Compounds for Potent and Selective Neuronal Nitric Oxide Synthase Inhibition NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-12-22 US disclosed
US-20160096806-A1 2-Aminoquinoline-Based Compounds for Potent and Selective Neuronal Nitric Oxide Synthase Inhibition NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-04-07 US disclosed
US-9212144-B2 2-aminoquinoline-based compounds for potent and selective neuronal nitric oxide synthase inhibition NORTHWESTERN UNIVERSITY (US) 2015-12-15 US disclosed
US-9212144-B2 2-aminoquinoline-based compounds for potent and selective neuronal nitric oxide synthase inhibition NORTHWESTERN UNIVERSITY (US) 2015-12-15 US disclosed
US-20150210644-A1 2-AMINOQUINOLINE-BASED COMPOUNDS FOR POTENT AND SELECTIVE NEURONAL NITRIC OXIDE SYNTHASE INHIBITION NORTHWESTERN UNIVERSITY 2015-07-30 US disclosed
US-20150210644-A1 2-AMINOQUINOLINE-BASED COMPOUNDS FOR POTENT AND SELECTIVE NEURONAL NITRIC OXIDE SYNTHASE INHIBITION NORTHWESTERN UNIVERSITY 2015-07-30 US disclosed
CN-104211632-A 2-Indolone derivative with tyrosine kinase inhibition activity, and preparation method and application thereof INST RADIATION MED AMMS PLA 2014-12-17 CN disclosed
US-RE39593-E1 1-phenyl-3-dimethylaminopropane compounds with a pharmacological effects GRUENENTHAL GMBH (DE) 2007-04-24 US disclosed
US-6344558-B1 ANALGESICS GRUENTHAL GMBH (DE) 2002-02-05 US disclosed
US-20020010178-A1 1-phenyl-3-dimethylaminopropane compounds with a pharmacological effect GRUENENTHAL GMBH 2002-01-24 US disclosed
US-6248737-B1 ANALGESICS GRUENENTHAL GMBH (DE) 2001-06-19 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-20020010178-A1 1-phenyl-3-dimethylaminopropane compounds with a pharmacological effect OPRM1, OPRK1, OPRD1 DRD2 677/4885DRD3 674/4885DRD1 817/4885
US-20160368877-A1 2-Aminoquinoline-Based Compounds for Potent and Selective Neuronal Nitric Oxide Synthase Inhibition NOS2, NOS3, NOS1 DRD2 1055/4885DRD3 2240/4885DRD1 1621/4885
US-20150210644-A1 2-AMINOQUINOLINE-BASED COMPOUNDS FOR POTENT AND SELECTIVE NEURONAL NITRIC OXIDE SYNTHASE INHIBITION NOS2, NOS3, NOS1 DRD2 1055/4885DRD3 2240/4885DRD1 1621/4885
US-20160096806-A1 2-Aminoquinoline-Based Compounds for Potent and Selective Neuronal Nitric Oxide Synthase Inhibition NOS2, NOS3, NOS1 DRD2 1055/4885DRD3 2240/4885DRD1 1621/4885

“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.