SCHEMBL2702018

SCHEMBL2702018

CCCN[C@@H]1CCc2ccc(OC)cc2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 1.00
DRD3 P35462 8/20 1.00
DRD4 P21917 4/20 0.67
HTR1D P28221 2/20 0.67
MTNR1A P48039 1/20 0.60
MTNR1B P49286 1/20 0.60
HTR1B P28222 1/20 0.59
CA1 P00915 4/20 0.57
CA2 P00918 4/20 0.57
ACHE P22303 4/20 0.57
POLB P06746 1/20 0.57
KMT2A Q03164 1/20 0.57
GRIN1 Q05586 1/20 0.57
GRIN2B Q13224 1/20 0.57

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
SCHEMBL2701521 1.00 DRD2 (1.00) DRD2DRD3DRD4HTR1DMTNR1A
SCHEMBL8394614 1.00 DRD2 (1.00) DRD2DRD3DRD4HTR1DMTNR1A
Hydrochloric Acid SCHEMBL6339640 0.99 DRD2 (0.97) DRD2DRD3DRD4HTR1DMTNR1A
SCHEMBL607070 0.94 DRD2 (0.90) DRD2DRD3DRD4HTR1DMTNR1A
Hydrochloric Acid SCHEMBL11488842 0.93 DRD2 (0.87) DRD2DRD3DRD4HTR1DMTNR1A
SCHEMBL9757841 0.93 DRD2 (0.86) DRD2DRD3DRD4HTR1DMTNR1A
SCHEMBL8689197 0.88 DRD2 (0.79) DRD2DRD3DRD4HTR1DMTNR1A
SCHEMBL6334450 0.88 DRD2 (0.78) DRD2DRD3DRD4HTR1DMTNR1A
Hydrochloric Acid SCHEMBL11494181 0.87 DRD2 (0.78) DRD2DRD3DRD4HTR1DMTNR1A
SCHEMBL10395544 0.83 DRD2 (0.71) DRD2DRD3DRD4HTR1DMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9034877-B2 Bifunctional/polyfunctional dopamine D2/D3 agonist as neuroprotective agents for treatment of neurodegenerative diseases WAYNE STATE UNIVERSITY (US) 2015-05-19 US disclosed
US-20120108815-A1 BIFUNCTIONAL/POLYFUNCTIONAL DOPAMINE D2/D3 AGONIST AS NEUROPROTECTIVE AGENTS FOR TREATMENT OF NEURODEGENERATIVE DISEASES WAYNE STATE UNIVERSITY (US) 2012-05-03 US disclosed
US-6864266-B2 4-piperidinyl alkyl amine derivatives as muscarinic receptor antagonists SYNTEX (U.S.A.) LLC (US) 2005-03-08 US disclosed
US-20040092554-A1 4-piperidinyl alkyl amine derivatives as muscarinic receptor antagonists BROTHERTON-PLEISS CHRISTINE E (US) 2004-05-13 US disclosed
US-6627644-B2 Muscarinic receptor antagonists and parasympathetic nervous system. The physiological actions of Acetylcholine are mediated by activation of either nicotinic or muscarinic receptors SYNTEX (U.S.A.) LLC 2003-09-30 US disclosed
US-20030162780-A1 4-PIPERIDINYL ALKYL AMINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS SYNTEX (U.S.A.) LLC, NAME CHANGED TO ROCHE PALO ALTO LLC 2003-08-28 US disclosed
US-6008219-A Bicyclic amine derivatives and their use as anti-psychotic agents SMITHKLINE BEECH P.L.C. (GB) 1999-12-28 US disclosed
WO-1994026703-A1 NEW CENTRALLY ACTING 5-, 6-, 7-, AND 8-SUBSTITUTED SULPHONE ESTERS OF N-MONOSUBSTITUTED 2-AMINOTETRALINS AND RELATED STRUCTURES DAMSMA-BLOEM, Anette, J. (NL) 1994-11-24 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-20030162780-A1 4-PIPERIDINYL ALKYL AMINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM1, CHRM3, CHRM2 DRD2 50/4885DRD3 56/4885DRD4 149/4885
US-20120108815-A1 BIFUNCTIONAL/POLYFUNCTIONAL DOPAMINE D2/D3 AGONIST AS NEUROPROTECTIVE AGENTS FOR TREATMENT OF NEURODEGENERATIVE DISEASES DRD3, DRD2, SLC6A3 DRD2 2/4885DRD3 1/4885DRD4 7/4885
US-20040092554-A1 4-piperidinyl alkyl amine derivatives as muscarinic receptor antagonists CHRM1, CHRM3, CHRM2 DRD2 50/4885DRD3 56/4885DRD4 149/4885

“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.