SCHEMBL2116365

SCHEMBL2116365

CC(F)C1CCN(CCCO)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 5/20 0.37
GNAO1 P09471 5/20 0.37
GNAI1 P63096 5/20 0.37
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
HRH1 P35367 2/20 0.35
HTR2A P28223 2/20 0.33
CYP2D6 P10635 1/20 0.33
GBA1 P04062 1/20 0.33
HTR2C P28335 1/20 0.32
HTR7 P34969 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
SCHEMBL2114448 0.89 GBA1 (0.34) GNAI3GNAO1GNAI1TLR9TLR8
SCHEMBL2116406 0.85 GNAI3 (0.39) GNAI3GNAO1GNAI1TLR9TLR8
SCHEMBL2116363 0.81 GNAO1 (0.37) GNAI3GNAO1GNAI1CYP2D6
SCHEMBL2118268 0.80 HRH1 (0.37) GNAI3GNAO1GNAI1TLR9TLR8
SCHEMBL2115839 0.80 BCHE (0.36) GBA1
SCHEMBL14768953 0.79 GNAO1 (0.42) GNAI3GNAO1GNAI1HRH1
SCHEMBL15837589 0.78 GBA1 (0.36) GNAI3GNAO1GNAI1HRH1GBA1
SCHEMBL2116367 0.78 GBA1 (0.36) GNAI3GNAO1GNAI1HRH1GBA1
SCHEMBL2114423 0.77 TLR9 (0.36) TLR9TLR8TLR7HRH1HTR2A
SCHEMBL2116263 0.76 GNAI3 (0.39) GNAI3GNAO1GNAI1HRH1

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 GNAI3 3293/4885GNAO1 2673/4885GNAI1 2800/4885

“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.