SCHEMBL6635893

SCHEMBL6635893

COc1ccc2c(c1)CC(C(CCN)CCC1CCNCC1)CC2

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.45
DRD3 P35462 5/20 0.45
CYP19A1 P11511 2/20 0.41
DRD4 P21917 2/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
ACHE P22303 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
HTR1A P08908 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
CYP26A1 O43174 1/20 0.36

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
SCHEMBL6334840 1.00 DRD2 (0.45) DRD2DRD3CYP19A1DRD4MTNR1A
SCHEMBL6343665 0.91 DRD2 (0.46) DRD2DRD3CYP19A1DRD4MTNR1A
SCHEMBL2700596 0.84 SIGMAR1 (0.46) DRD2DRD3CYP19A1DRD4MTNR1A
SCHEMBL5216589 0.83 DRD2 (0.49) DRD2DRD3CYP19A1DRD4MTNR1A
SCHEMBL5216890 0.83 DRD2 (0.49) DRD2DRD3CYP19A1DRD4MTNR1A
SCHEMBL6619572 0.77 DRD2 (0.43) DRD2DRD3CYP19A1DRD4MTNR1A
SCHEMBL6335390 0.74 CA1 (0.43) DRD2DRD3CYP19A1DRD4MTNR1A
SCHEMBL6345240 0.74 CA1 (0.43) DRD2DRD3CYP19A1DRD4MTNR1A
SCHEMBL5216881 0.73 DRD2 (0.65) DRD2DRD3CYP19A1DRD4MTNR1A
SCHEMBL5216586 0.73 DRD2 (0.65) DRD2DRD3CYP19A1DRD4MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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-20030162780-A1 4-PIPERIDINYL ALKYL AMINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM1, CHRM3, CHRM2 DRD2 50/4885DRD3 56/4885CYP19A1 1893/4885
US-20040092554-A1 4-piperidinyl alkyl amine derivatives as muscarinic receptor antagonists CHRM1, CHRM3, CHRM2 DRD2 50/4885DRD3 56/4885CYP19A1 1893/4885

“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.