SCHEMBL2114448

SCHEMBL2114448

CC(F)C1CCN(CCCO)C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.34
HTR1A P08908 4/20 0.33
DRD1 P21728 4/20 0.33
DRD4 P21917 4/20 0.33
DRD5 P21918 4/20 0.33
DRD3 P35462 4/20 0.33
DRD2 P14416 3/20 0.33
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
BCHE P06276 1/20 0.32
GNAI3 P08754 1/20 0.32
GNAO1 P09471 1/20 0.32
GNAI1 P63096 1/20 0.32
LMNA P02545 1/20 0.32
HRH1 P35367 1/20 0.32

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
SCHEMBL2115839 0.90 BCHE (0.36) GBA1HTR1ABCHE
SCHEMBL2116365 0.89 GNAI3 (0.37) GBA1TLR9TLR8TLR7GNAI3
SCHEMBL15837589 0.86 GBA1 (0.36) GBA1HTR1ADRD1DRD4DRD5
SCHEMBL2116367 0.86 GBA1 (0.36) GBA1HTR1ADRD1DRD4DRD5
SCHEMBL2114447 0.83 BCHE (0.32) HTR1ADRD1DRD4DRD5DRD3
SCHEMBL2116526 0.80 GBA1 (0.36) GBA1HTR1ADRD1DRD4DRD5
SCHEMBL2116406 0.78 GNAI3 (0.39) GBA1TLR9TLR8TLR7GNAI3
SCHEMBL2116170 0.76 BCHE (0.38) GBA1HTR1ABCHE
SCHEMBL10442555 0.74 SLC18A3 (0.37) GBA1DRD3DRD2LMNA
SCHEMBL12384497 0.74 SLC18A3 (0.37) GBA1DRD3DRD2LMNA

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 3901/4885HTR1A 14/4885DRD1 282/4885

“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.