SCHEMBL2114423

SCHEMBL2114423

CC(F)OC1CCN(CCCO)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
BCHE P06276 7/20 0.36
HRH1 P35367 2/20 0.34
LMNA P02545 2/20 0.34
ACHE P22303 2/20 0.34
NPC1 O15118 1/20 0.34
MLNR O43193 1/20 0.34
NR1I2 O75469 1/20 0.34
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34
FYN P06241 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
ABCB1 P08183 1/20 0.34
ADRB1 P08588 1/20 0.34
HTR1A P08908 1/20 0.34
CHRM5 P08912 1/20 0.34
ADRA2A P08913 1/20 0.34

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
SCHEMBL2117160 0.86 BCHE (0.36) TLR9TLR8TLR7BCHEHRH1
SCHEMBL2116336 0.84 BCHE (0.37) TLR9TLR8TLR7BCHEHRH1
SCHEMBL2114421 0.83 BCHE (0.36) BCHEHRH1LMNAACHENPC1
SCHEMBL2116802 0.81 CHRNB2 (0.34) BCHEACHEHTR1AMAOB
SCHEMBL19885285 0.81 CHRM2 (0.35) BCHEHRH1LMNAACHENPC1
SCHEMBL2116365 0.77 GNAI3 (0.37) TLR9TLR8TLR7HRH1HTR2A
SCHEMBL2116387 0.77 HRH3 (0.37) HRH1LMNAACHECHRM3PRKAA2
SCHEMBL19885260 0.77 KCNH2 (0.34) HRH1LMNAACHENPC1MLNR
SCHEMBL12448239 0.75 SLC18A3 (0.40) TLR9TLR8TLR7BCHELMNA
SCHEMBL2114252 0.74 HRH1 (0.40) BCHEHRH1LMNANPC1CHRM3

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 TLR9 2122/4885TLR8 1832/4885TLR7 722/4885

“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.