SCHEMBL5372999

SCHEMBL5372999

O=C(OCc1ccccc1)N1CCC(C(=O)NCCc2ccccc2)(c2ccccc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.60
CHRM3 P20309 1/20 0.60
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HDAC1 Q13547 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC3 O15379 1/20 0.48
HDAC2 Q92769 1/20 0.48
OPRD1 P41143 1/20 0.48
OPRK1 P41145 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
HTT P42858 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP2C19 P33261 1/20 0.46
KDM1A O60341 1/20 0.46
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL2468544 0.90 CHRM5 (0.50) CHRM5CHRM3MEN1KMT2ANPSR1
SCHEMBL2468207 0.88 ALDH1A1 (0.60) MEN1KMT2ANPSR1HDAC1HDAC6
SCHEMBL2473439 0.88 OPRD1 (0.49) CHRM5CHRM3MEN1KMT2ANPSR1
SCHEMBL2465814 0.87 CHRM5 (0.48) CHRM5CHRM3HDAC1HDAC6HDAC3
SCHEMBL4631143 0.85 OPRD1 (0.53) MEN1KMT2ANPSR1HDAC1HDAC6
SCHEMBL2471574 0.84 GRIN2B (0.53) MEN1KMT2ANPSR1HDAC1HDAC6
SCHEMBL2472460 0.84 MEN1 (0.57) CHRM5CHRM3MEN1KMT2ANPSR1
SCHEMBL2470472 0.84 OPRL1 (0.56) MEN1KMT2ANPSR1HDAC1HDAC6
SCHEMBL2467789 0.83 KMT2A (0.58) MEN1KMT2ANPSR1HDAC1HDAC6
SCHEMBL8366537 0.83 MEN1 (0.50) MEN1KMT2ANPSR1HDAC1HDAC6

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 CHRM5 927/4885CHRM3 2056/4885MEN1 2148/4885
US-20070225331-A1 4,4-Disubstituted piperidines, and methods of use thereof HTR5A, HTR2C, OPRL1 CHRM5 609/4885CHRM3 1805/4885MEN1 1787/4885
US-20040142974-A1 4,4-disubstituted piperidines, and methods of use thereof HTR5A, HTR2C, OPRL1 CHRM5 609/4885CHRM3 1805/4885MEN1 1787/4885

“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.