SCHEMBL2116526

SCHEMBL2116526

COC(C)C1CCN(CCCO)C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 3/20 0.36
ACHE P22303 2/20 0.33
MAOB P27338 2/20 0.33
HRH1 P35367 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
HTR1A P08908 2/20 0.31
DRD1 P21728 2/20 0.31
DRD4 P21917 2/20 0.31
DRD5 P21918 2/20 0.31
DRD3 P35462 2/20 0.31
DRD2 P14416 1/20 0.31
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
ALB P02768 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL2118268 0.92 HRH1 (0.37) GBA1ACHEMAOBHRH1TLR9
SCHEMBL2116639 0.91 ACHE (0.39) GBA1ACHEMAOBHTR1A
SCHEMBL2116525 0.84 CYP2D6 (0.31) CYP2D6CYP2C19
SCHEMBL15837589 0.83 GBA1 (0.36) GBA1HRH1HTR1ADRD1DRD4
SCHEMBL2116367 0.83 GBA1 (0.36) GBA1HRH1HTR1ADRD1DRD4
SCHEMBL2114448 0.80 GBA1 (0.34) GBA1HRH1HTR1ADRD1DRD4
SCHEMBL26946535 0.79 SMN1; SMN2 (0.33) CYP2D6
SCHEMBL26944665 0.79 SMN1; SMN2 (0.33) CYP2D6
SCHEMBL26944666 0.79 SMN1; SMN2 (0.33) CYP2D6
SCHEMBL2116406 0.75 GNAI3 (0.39) GBA1HRH1SIGMAR1TLR9TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158652-B2 1-Difluoromethyl-5-{4-[3-(1-piperidinyl)propoxy]phenyl}-2(1H)-pyridone; compounds act as histamine-H3 receptor antagonistic substances or inverse-agonistic substances; useful as preventives or remedies for various circular system diseases, nervous system diseases, metabolic system diseases MSD K.K. (JP) 2012-04-17 US disclosed
US-20080269287-A1 Substituted Pyridone Derivative MSD K.K. (JP) 2008-10-30 US disclosed
EP-1820797-A1 SUBSTITUTED PYRIDONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-22 EP 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 (1 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-20080269287-A1 Substituted Pyridone Derivative HRH3, HRH4, HRH1 GBA1 3901/4885ACHE 3180/4885MAOB 643/4885

“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.