SCHEMBL3385462

SCHEMBL3385462

CCCNC1CCc2ccc(O)cc2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 12/20 1.00
DRD2 P14416 11/20 1.00
DRD4 P21917 6/20 1.00
HTR1D P28221 2/20 0.62
HTR1B P28222 1/20 0.62
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
ACHE P22303 2/20 0.56
OPRM1 P35372 1/20 0.56
OPRK1 P41145 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
HTR1A P08908 1/20 0.55
ADRB2 P07550 1/20 0.55
CYP2D6 P10635 1/20 0.55
CASP1 P29466 1/20 0.55
LMNA P02545 2/20 0.53
MAPT P10636 1/20 0.53
GRIN2B Q13224 2/20 0.53

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
SCHEMBL9391370 1.00 DRD3 (1.00) DRD3DRD2DRD4HTR1DHTR1B
SCHEMBL8692261 0.88 DRD2 (0.78) DRD3DRD2DRD4HTR1DHTR1B
Bromide SCHEMBL8693876 0.86 DRD2 (0.76) DRD3DRD2DRD4HTR1DHTR1B
SCHEMBL8462877 0.83 DRD2 (0.71) DRD3DRD2DRD4HTR1DHTR1B
SCHEMBL9776820 0.82 DRD2 (0.70) DRD3DRD2DRD4HTR1DHTR1B
SCHEMBL6336717 0.82 DRD2 (0.70) DRD3DRD2DRD4HTR1DHTR1B
Hydrochloric Acid SCHEMBL7356167 0.82 DRD2 (0.69) DRD3DRD2DRD4HTR1DHTR1B
Hydrochloric Acid SCHEMBL7356162 0.82 DRD2 (0.69) DRD3DRD2DRD4HTR1DHTR1B
Bromide SCHEMBL11262994 0.82 DRD2 (0.69) DRD3DRD2DRD4HTR1DHTR1B
SCHEMBL10074928 0.81 DRD3 (0.68) DRD3DRD2DRD4CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1453805-B1 4-PIPERIDINYL ALKYLAMINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-12-22 EP disclosed
EP-1453805-B1 4-PIPERIDINYL ALKYLAMINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-12-22 EP disclosed
US-6864266-B2 4-piperidinyl alkyl amine derivatives as muscarinic receptor antagonists SYNTEX (U.S.A.) LLC (US) 2005-03-08 US disclosed
EP-1453805-A1 4-PIPERIDINYL ALKYLAMINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-09-08 EP 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
WO-2003048124-A1 4-PIPERIDINYL ALKYLAMINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-06-12 WO 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
WO-1994022495-A1 DOPAMINE D-3 AND SEROTONIN (5-HT1A) RECEPTOR LIGANDS AND IMAGING AGENTS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1994-10-13 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 DRD3 56/4885DRD2 50/4885DRD4 149/4885
US-20120108815-A1 BIFUNCTIONAL/POLYFUNCTIONAL DOPAMINE D2/D3 AGONIST AS NEUROPROTECTIVE AGENTS FOR TREATMENT OF NEURODEGENERATIVE DISEASES DRD3, DRD2, SLC6A3 DRD3 1/4885DRD2 2/4885DRD4 7/4885
US-20040092554-A1 4-piperidinyl alkyl amine derivatives as muscarinic receptor antagonists CHRM1, CHRM3, CHRM2 DRD3 56/4885DRD2 50/4885DRD4 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.