SCHEMBL2116363

SCHEMBL2116363

CC(F)C1CCN(CCC[O])CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 7/20 0.37
GNAI3 P08754 6/20 0.37
GNAI1 P63096 6/20 0.37
CYP2D6 P10635 1/20 0.33
SIGMAR1 Q99720 2/20 0.32
KCNH2 Q12809 2/20 0.31
MEN1 O00255 1/20 0.31
CHRM2 P08172 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
DRD1 P21728 1/20 0.31
ADRA1A P35348 1/20 0.31
OPRM1 P35372 1/20 0.31
DRD3 P35462 1/20 0.31
KMT2A Q03164 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
POLB P06746 1/20 0.31
HTT P42858 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
SCHEMBL2114447 0.89 BCHE (0.32) GNAO1GNAI3GNAI1SIGMAR1HTR1A
SCHEMBL2116402 0.85 GNAO1 (0.39) GNAO1GNAI3GNAI1SIGMAR1KCNH2
SCHEMBL2116365 0.81 GNAI3 (0.37) GNAO1GNAI3GNAI1CYP2D6
SCHEMBL2118266 0.80 GNAO1 (0.36) GNAO1GNAI3GNAI1SIGMAR1KCNH2
SCHEMBL2115837 0.80 BCHE (0.36)
SCHEMBL2116364 0.78 BCHE (0.33) GNAO1GNAI3GNAI1SIGMAR1KCNH2
SCHEMBL2114421 0.77 BCHE (0.36) GNAO1GNAI3GNAI1KCNH2CHRM2
SCHEMBL2116260 0.76 GNAI3 (0.39) GNAO1GNAI3GNAI1KCNH2MEN1
SCHEMBL2116403 0.75 GNAO1 (0.41) GNAO1GNAI3GNAI1SIGMAR1KCNH2
SCHEMBL2116456 0.74 CARM1 (0.52) SIGMAR1KCNH2MEN1CHRM2HTR1A

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 GNAO1 2673/4885GNAI3 3293/4885GNAI1 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.