SCHEMBL5221082

SCHEMBL5221082

NCCC(C1CCNCC1)C1CCc2ccc(Br)cc2C1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PNMT P11086 9/20 0.38
ASIC3 Q9UHC3 1/20 0.35
DPP4 P27487 1/20 0.33
ADRA2A P08913 3/20 0.32
ADRA2B P18089 3/20 0.32
ADRA2C P18825 3/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
SLC6A4 P31645 1/20 0.32
CYP2C8 P10632 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL5216589 0.82 DRD2 (0.49) HTR2AHTR2CHTR2B
SCHEMBL5216890 0.82 DRD2 (0.49) HTR2AHTR2CHTR2B
SCHEMBL6343665 0.66 DRD2 (0.46)
SCHEMBL6619572 0.66 DRD2 (0.43) HTR2C
SCHEMBL6635893 0.65 DRD2 (0.45)
SCHEMBL6334840 0.65 DRD2 (0.45)
SCHEMBL6336718 0.65 PNMT (0.37) PNMTADRA2AADRA2BADRA2CCYP2C8
SCHEMBL5221080 0.65 DRD3 (0.43) PNMTSLC6A4CYP2C8CYP2D6CYP2C9
SCHEMBL415207 0.64 DRD2 (0.62) PNMT
SCHEMBL7451568 0.64 DRD2 (0.62) PNMT

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 7 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
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 PNMT 639/4885ASIC3 981/4885DPP4 1244/4885
US-20040092604-A1 Amino-tetralin derivatives as muscarinic receptor antagonists CHRM2, CHRM1, CHRM3 PNMT 639/4885ASIC3 981/4885DPP4 1244/4885

“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.