SCHEMBL5361644

SCHEMBL5361644

COCC1(c2ccccc2)CCN(CC2(c3ccc(Cl)cc3)CCC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.41
SLC6A2 P23975 5/20 0.41
SLC6A3 Q01959 4/20 0.41
CCR3 P51677 1/20 0.41
TACR1 P25103 4/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
KDM1A O60341 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 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
SCHEMBL5369342 0.85 SLC6A4 (0.38) SLC6A4SLC6A2SLC6A3CCR3TACR1
SCHEMBL5356990 0.83 DRD2 (0.53) SLC6A4SLC6A2SLC6A3CCR3TACR1
SCHEMBL5361885 0.82 SLC6A4 (0.62) SLC6A4SLC6A2SLC6A3CCR3
SCHEMBL14359682 0.79 DPP4 (0.52) SLC6A4SLC6A2SLC6A3TACR1
SCHEMBL27982226 0.79 ALDH1A1 (0.44) SLC6A4SLC6A2SLC6A3CCR3TMEM97
SCHEMBL16565196 0.77 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3TACR1
SCHEMBL16521003 0.76 SLC6A4 (0.65) SLC6A4SLC6A2SLC6A3
SCHEMBL14417149 0.76 CCR3 (0.39) SLC6A4SLC6A2SLC6A3CCR3SIGMAR1
SCHEMBL21078004 0.76 SLC6A4 (0.42) SLC6A4SLC6A2SLC6A3CCR3TACR1
SCHEMBL5369345 0.75 SLC6A2 (0.36) SLC6A4SLC6A2SLC6A3CCR3TMEM97

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 SLC6A4 10/4885SLC6A2 14/4885SLC6A3 4/4885
US-20070225331-A1 4,4-Disubstituted piperidines, and methods of use thereof HTR5A, HTR2C, OPRL1 SLC6A4 11/4885SLC6A2 14/4885SLC6A3 5/4885
US-20040142974-A1 4,4-disubstituted piperidines, and methods of use thereof HTR5A, HTR2C, OPRL1 SLC6A4 11/4885SLC6A2 14/4885SLC6A3 5/4885

“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.