SCHEMBL2116573

SCHEMBL2116573

OCCCN1CCC(CCOCCCl)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.42
ACHE P22303 2/20 0.42
CHRM2 P08172 6/20 0.36
CHRM4 P08173 6/20 0.36
CHRM5 P08912 6/20 0.36
CHRM1 P11229 6/20 0.36
CHRM3 P20309 6/20 0.36
DRD2 P14416 4/20 0.36
DRD4 P21917 3/20 0.36
DRD3 P35462 3/20 0.36
SIGMAR1 Q99720 2/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
HRH1 P35367 1/20 0.34
GNAO1 P09471 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 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
SCHEMBL5271230 0.91 HRH3 (0.36) HRH3ACHECHRM2CHRM4CHRM5
SCHEMBL2116571 0.84 HRH3 (0.40) HRH3ACHEDRD2SIGMAR1HTR2A
SCHEMBL2116037 0.82 ACHE (0.37) HRH3ACHE
SCHEMBL2115788 0.79 HRH3 (0.42) HRH3ACHECHRM2CHRM4CHRM5
SCHEMBL3424285 0.77 ACHE (0.48) HRH3ACHECHRM2CHRM4CHRM5
SCHEMBL3271082 0.76 ACHE (0.51) HRH3ACHECHRM2CHRM4CHRM5
SCHEMBL5271225 0.76 HRH3 (0.35) HRH3SIGMAR1TMEM97GRIN2AGRIN2B
SCHEMBL2115012 0.74 S1PR1 (0.39) HRH3
SCHEMBL3429184 0.74 HRH3 (0.39) HRH3ACHECHRM2CHRM4CHRM5
SCHEMBL2116583 0.73 CHRM1 (0.43) HRH3ACHECHRM2CHRM4CHRM5

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 HRH3 1/4885ACHE 3180/4885CHRM2 44/4885

“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.