SCHEMBL5372802

SCHEMBL5372802

COc1cccc(CN2CCC(c3ccccc3)(C(O[SiH](C)C)C(C)(C)C)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.54
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 4/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CHRM2 P08172 1/20 0.45
CHRM3 P20309 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
FAAH O00519 1/20 0.43
OPRM1 P35372 1/20 0.43
MMP1 P03956 1/20 0.43
MMP9 P14780 1/20 0.43
MMP13 P45452 1/20 0.43
ADAM17 P78536 1/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL5364411 0.73 SIGMAR1 (0.65) SIGMAR1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL5372806 0.71 SIGMAR1 (0.56) SIGMAR1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL5372808 0.71 SIGMAR1 (0.56) SIGMAR1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL11071745 0.71 SIGMAR1 (0.59) SIGMAR1ALDH1A1KDM4EL3MBTL1FAAH
SCHEMBL20804357 0.71 SIGMAR1 (0.90) SIGMAR1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL28186295 0.71 SIGMAR1 (0.90) SIGMAR1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4816046 0.70 ALDH1A1 (0.80) SIGMAR1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL5369337 0.70 SLC6A2 (0.34) OPRM1
Hydrochloric Acid SCHEMBL6288091 0.69 ALDH1A1 (0.78) SIGMAR1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL14417145 0.69 SIGMAR1 (0.53) SIGMAR1ALDH1A1KDM4EMEN1KMT2A

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 6 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-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 SIGMAR1 185/4885ALDH1A1 274/4885KDM4E 3432/4885
US-20070225331-A1 4,4-Disubstituted piperidines, and methods of use thereof HTR5A, HTR2C, OPRL1 SIGMAR1 198/4885ALDH1A1 314/4885KDM4E 3028/4885
US-20040142974-A1 4,4-disubstituted piperidines, and methods of use thereof HTR5A, HTR2C, OPRL1 SIGMAR1 198/4885ALDH1A1 314/4885KDM4E 3028/4885

“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.