SCHEMBL5218824

SCHEMBL5218824

CCCN(C1CCN(C(=O)OC(C)(C)C)CC1)C1CCc2ccc(Br)cc2C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
GPR119 Q8TDV5 8/20 0.42
DRD2 P14416 7/20 0.41
DRD3 P35462 7/20 0.41
DRD4 P21917 5/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HTR1A P08908 1/20 0.41
ADRB2 P07550 1/20 0.41
CYP2D6 P10635 1/20 0.41
CASP1 P29466 1/20 0.41
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.40
DPP4 P27487 1/20 0.39

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
SCHEMBL5222057 0.85 DRD2 (0.43) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL5223617 0.85 DRD2 (0.45) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL5215805 0.82 DRD2 (0.40) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL6804003 0.82 DRD2 (0.40) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL5220892 0.80 DRD2 (0.39) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL5221077 0.76 DRD2 (0.47) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL5218502 0.76 NPC1 (0.50) NPC1RAB9AGPR119MAPT
SCHEMBL3389069 0.76 DRD2 (0.60) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL5217956 0.75 DRD2 (0.60) DRD2DRD3DRD4
SCHEMBL6803803 0.75 DRD2 (0.60) DRD2DRD3DRD4

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
EP-1453806-B1 AMINOTETRALIN DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONIST HOFFMANN LA ROCHE (CH) 2007-12-19 EP disclosed
EP-1453806-B1 AMINOTETRALIN DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONIST HOFFMANN LA ROCHE (CH) 2007-12-19 EP disclosed
US-6806278-B2 SUCH AS (4-((6,7-DIMETHOXY-1,2,3,4-TETRAHYDRO-NAPHTHALEN-2-YL)-PROPYL-AMINO) -PIPERIDIN-1-YL)(4-METHYL-PIPERAZIN-1-YL)-METHANONE; SMOOTH MUSCLE AND RESPIRATORY DISORDERS SYNTEX (U.S.A.) LLC 2004-10-19 US disclosed
EP-1453806-A1 AMINOTETRALIN DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONIST F. HOFFMANN-LA ROCHE AG (CH) 2004-09-08 EP disclosed
US-20040092604-A1 Amino-tetralin derivatives as muscarinic receptor antagonists MADERA ANN MARIE (US) 2004-05-13 US disclosed
US-6635658-B2 Amino tetralin piperidiene derivatives; smooth muscle disorders comprising diseases of genitourinary or gastro-intestinal tract SYNTEX (U.S.A.) LLC 2003-10-21 US disclosed
US-20030171362-A1 AMINO-TETRALIN DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS SYNTEX (USA) LLC 2003-09-11 US disclosed
WO-2003048125-A1 AMINOTETRALIN DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-06-12 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 (2 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-20030171362-A1 AMINO-TETRALIN DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM3 NPC1 3745/4885RAB9A 3069/4885GPR119 194/4885
US-20040092604-A1 Amino-tetralin derivatives as muscarinic receptor antagonists CHRM2, CHRM1, CHRM3 NPC1 3745/4885RAB9A 3069/4885GPR119 194/4885

“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.