SCHEMBL44276

SCHEMBL44276

COc1cccc(CCN(C)C)c1

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.75
TAAR1 Q96RJ0 5/20 0.62
ACHE P22303 1/20 0.62
CALM1 P0DP23 1/20 0.60
CAMKK2 Q96RR4 1/20 0.60
HTR7 P34969 2/20 0.59
HTR1A P08908 1/20 0.59
CHRM2 P08172 2/20 0.59
CHRM1 P11229 2/20 0.59
CHRM3 P20309 2/20 0.59
SIGMAR1 Q99720 2/20 0.58
HTR2A P28223 1/20 0.54

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
Hydrochloric Acid SCHEMBL8508344 0.98 AOC3 (0.73) AOC3TAAR1ACHECALM1CAMKK2
SCHEMBL555038 0.89 AOC3 (0.66) AOC3TAAR1ACHECALM1CAMKK2
SCHEMBL18122711 0.89 AOC3 (0.75) AOC3TAAR1CALM1CAMKK2CHRM2
SCHEMBL4680668 0.84 AOC3 (0.69) AOC3TAAR1ACHECALM1CAMKK2
SCHEMBL723511 0.84 TAAR1 (0.77) AOC3TAAR1HTR1ACHRM2CHRM1
SCHEMBL30080050 0.84 TAAR1 (0.77) AOC3TAAR1HTR1ACHRM2CHRM1
SCHEMBL4680665 0.83 AOC3 (0.67) AOC3TAAR1CALM1CAMKK2CHRM2
SCHEMBL3066066 0.82 ACHE (0.59) AOC3TAAR1ACHEHTR7HTR1A
SCHEMBL5271881 0.82 AOC3 (0.66) AOC3TAAR1ACHECALM1CAMKK2
SCHEMBL13801215 0.82 AOC3 (0.65) AOC3TAAR1ACHECALM1CAMKK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102285904-B Method for preparing rivastigmine CHENGDU INST BIOLOGY CAS 2013-06-05 CN claimed
CN-102285904-A Method for preparing rivastigmine 2011-12-21 CN claimed
WO-2011070585-A1 PROCESSES FOR PREPARING RIVASTIGMINE, SALTS AND INTERMEDIATES THEREOF SHODHANA LABORATORIES LIMITED (IN) 2011-06-16 WO claimed
US-20230174690-A1 COMPOSITIONS AND METHODS FOR SINGLE-STEP MULTIPURPOSE SURFACE FUNCTIONALIZATION UNIV RUTGERS (US) 2023-06-08 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-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-20150210644-A1 2-AMINOQUINOLINE-BASED COMPOUNDS FOR POTENT AND SELECTIVE NEURONAL NITRIC OXIDE SYNTHASE INHIBITION NORTHWESTERN UNIVERSITY 2015-07-30 US disclosed
CN-102285904-B Method for preparing rivastigmine CHENGDU INST BIOLOGY CAS 2013-06-05 CN disclosed
EP-2220100-A2 CHIRAL CYCLOPLATINIZED COMPLEXES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE IN MEDICINE AND CATALYSTS Rheinisch-Westfälisch-Technische Hochschule Aachen (DE) 2010-08-25 EP disclosed
WO-2009077462-A2 CHIRAL CYCLOPLATINIZED COMPLEXES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE IN MEDICINE AND CATALYSTS Rheinisch-Westfälische Technische Hochschule Aachen (DE) 2009-06-25 WO disclosed
EP-2054373-A1 IMPROVED PROCESS FOR THE PREPARATION OF RIVASTIGMINE Alembic Limited (IN) 2009-05-06 EP disclosed
WO-2008020452-A1 IMPROVED PROCESS FOR THE PREPARATION OF RIVASTIGMINE ALEMBIC LIMITED (IN) 2008-02-21 WO disclosed
EP-1556338-A1 A METHOD OF PRODUCTION OF (-)-(S)-3- 1-(DIMETHYLAMINO)ETHYL& rsqb;PHENYL-N-ETHYL-N-METHYLCARBAMATE Zentiva, A.S. (CZ) 2005-07-27 EP disclosed
WO-2004037771-A1 A METHOD OF PRODUCTION OF (-)-(S)-3-[1-(DIMETHYLAMINO)ETHYL]PHENYL-N-ETHYL-N-METHYLCARBAMATE ZENTIVA, A.S. (CZ) 2004-05-06 WO disclosed
WO-2003101917-A2 A PROCESS FOR THE PREPARATION OF PHENYLCARBAMATES SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2003-12-11 WO disclosed
EP-0901459-A1 CALCILYTIC COMPOUNDS NPS PHARMACEUTICALS, INC. (US) 1999-03-17 EP disclosed
WO-1997037967-A1 CALCILYTIC COMPOUNDS NPS PHARMACEUTICALS, INC. (US) 1997-10-16 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-20160368877-A1 2-Aminoquinoline-Based Compounds for Potent and Selective Neuronal Nitric Oxide Synthase Inhibition NOS2, NOS3, NOS1 AOC3 483/4885TAAR1 797/4885ACHE 104/4885
US-20150210644-A1 2-AMINOQUINOLINE-BASED COMPOUNDS FOR POTENT AND SELECTIVE NEURONAL NITRIC OXIDE SYNTHASE INHIBITION NOS2, NOS3, NOS1 AOC3 483/4885TAAR1 797/4885ACHE 104/4885
US-20160096806-A1 2-Aminoquinoline-Based Compounds for Potent and Selective Neuronal Nitric Oxide Synthase Inhibition NOS2, NOS3, NOS1 AOC3 483/4885TAAR1 797/4885ACHE 104/4885

“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.