SCHEMBL5357548

SCHEMBL5357548

OCC1(c2ccccc2)CCN(CC(O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48
KDM4E B2RXH2 2/20 0.48
IGF1R P08069 4/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
OPRM1 P35372 3/20 0.45
OPRD1 P41143 2/20 0.45
GRIN2B Q13224 2/20 0.44
GMNN O75496 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
THPO P40225 1/20 0.44
MTOR P42345 1/20 0.44

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
SCHEMBL7335163 0.84 OPRL1 (0.61) DRD2DRD3OPRM1OPRD1GRIN2B
SCHEMBL7328050 0.84 OPRL1 (0.61) DRD2DRD3OPRM1OPRD1GRIN2B
SCHEMBL8574851 0.84 OPRL1 (0.61) DRD2DRD3OPRM1OPRD1GRIN2B
SCHEMBL14417131 0.80 GAA (0.40) DRD2DRD3KDM4EIGF1RGAA
SCHEMBL5367864 0.80 CCR3 (0.61) DRD2DRD4DRD3KDM4EMEN1
SCHEMBL5375841 0.79 GAA (0.39) KDM4EIGF1RGAAHTTMEN1
SCHEMBL7332952 0.77 SLC6A2 (0.60) DRD2DRD4DRD3KDM4EIGF1R
SCHEMBL5356990 0.76 DRD2 (0.53) DRD2DRD4DRD3OPRM1OPRL1
SCHEMBL4472409 0.75 KDM4E (0.82) DRD4KDM4EIGF1RGAAHTT
SCHEMBL5356998 0.74 OPRL1 (0.57) DRD2DRD4DRD3OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070225331-A1 4,4-Disubstituted piperidines, and methods of use thereof SEPRACOR INC. (US) 2007-09-27 US disclosed
US-20070225331-A1 4,4-Disubstituted piperidines, and methods of use thereof SEPRACOR INC. (US) 2007-09-27 US disclosed
US-20070225331-A1 4,4-Disubstituted piperidines, and methods of use thereof SEPRACOR INC. (US) 2007-09-27 US disclosed
US-7217823-B2 4,4-Disubstituted piperidines, and methods of use thereof SEPRACOR INC. (US) 2007-05-15 US disclosed
US-7217823-B2 4,4-Disubstituted piperidines, and methods of use thereof SEPRACOR INC. (US) 2007-05-15 US disclosed
US-7217823-B2 4,4-Disubstituted piperidines, and methods of use thereof SEPRACOR INC. (US) 2007-05-15 US disclosed
US-20040142974-A1 4,4-disubstituted piperidines, and methods of use thereof HOEMANN MICHAEL Z (US) 2004-07-22 US disclosed
US-6656953-B2 Ligands for receptors such as dopamine, serotonin, or norepinephrine transporters; broad uses claimed, such as pain reliever and antidepressant SEPRACOR INC. 2003-12-02 US disclosed
US-20020177607-A1 4,4-Disubstitued piperidines, and methods of use thereof SEPRACOR INC. 2002-11-28 US disclosed
WO-2002046156-A2 4,4-DISUBSTITUTED PIPERIDINES FOR USE AS DOPAMINE, SEROTONIN AND NOREPINEPHRINE LIGANDS SEPRACOR, INC. (US) 2002-06-13 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-20020177607-A1 4,4-Disubstitued piperidines, and methods of use thereof HTR2C, HTR5A, OPRL1 DRD2 26/4885DRD4 55/4885DRD3 69/4885
US-20070225331-A1 4,4-Disubstituted piperidines, and methods of use thereof HTR5A, HTR2C, OPRL1 DRD2 26/4885DRD4 56/4885DRD3 61/4885
US-20040142974-A1 4,4-disubstituted piperidines, and methods of use thereof HTR5A, HTR2C, OPRL1 DRD2 26/4885DRD4 56/4885DRD3 61/4885

“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.