SCHEMBL2116583

SCHEMBL2116583

OCCCN1CCC(CCF)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 8/20 0.43
CHRM2 P08172 7/20 0.43
CHRM4 P08173 7/20 0.43
CHRM5 P08912 7/20 0.43
CHRM3 P20309 7/20 0.43
DRD2 P14416 4/20 0.43
DRD4 P21917 4/20 0.43
DRD3 P35462 3/20 0.43
GNAO1 P09471 1/20 0.39
ACHE P22303 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
SIGMAR1 Q99720 2/20 0.37
ALB P02768 1/20 0.36
MAOB P27338 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36

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
SCHEMBL2119099 0.89 CHRM2 (0.36) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL3424285 0.86 ACHE (0.48) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL3954938 0.85 CHRM1 (0.43) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL2118494 0.84 CHRM2 (0.36) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL2116580 0.82 GNAO1 (0.40) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL5034030 0.81 CHRM1 (0.49) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL3950912 0.80 CHRM1 (0.40) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL3950909 0.80 CHRM1 (0.43) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL4417566 0.80 NCF1 (0.50) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL3424498 0.79 ACHE (0.44) CHRM1CHRM2CHRM4CHRM5CHRM3

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 CHRM1 16/4885CHRM2 44/4885CHRM4 122/4885

“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.