SCHEMBL2116580

SCHEMBL2116580

[O]CCCN1CCC(CCF)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 1/20 0.40
SIGMAR1 Q99720 2/20 0.38
CHRM1 P11229 3/20 0.35
CHRM2 P08172 2/20 0.35
CHRM4 P08173 2/20 0.35
CHRM5 P08912 2/20 0.35
CHRM3 P20309 2/20 0.35
HRH3 Q9Y5N1 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
DRD2 P14416 1/20 0.34
ADRA2B P18089 1/20 0.34
DRD4 P21917 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
ADRA1B P35368 1/20 0.34
KCNH2 Q12809 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
SCHEMBL2119095 0.89 SIGMAR1 (0.33) GNAO1SIGMAR1
SCHEMBL2118491 0.86 SIGMAR1 (0.36) GNAO1SIGMAR1HRH3KCNH2
SCHEMBL3424280 0.82 ACHE (0.45) GNAO1CHRM1CHRM2CHRM4CHRM5
SCHEMBL2116583 0.82 CHRM1 (0.43) GNAO1SIGMAR1CHRM1CHRM2CHRM4
SCHEMBL4417561 0.82 NCF1 (0.50) GNAO1SIGMAR1CHRM1
SCHEMBL2116260 0.79 GNAI3 (0.39) GNAO1CHRM2HRH3HTR1AADRA2A
SCHEMBL2117629 0.78 MAOB (0.37)
SCHEMBL2115787 0.78 HRH3 (0.40) GNAO1CHRM1CHRM2CHRM4CHRM5
SCHEMBL3424493 0.78 HRH3 (0.42) GNAO1SIGMAR1CHRM1CHRM2CHRM4
SCHEMBL2116403 0.78 GNAO1 (0.41) GNAO1SIGMAR1CHRM1CHRM2CHRM4

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 2673/4885SIGMAR1 86/4885CHRM1 16/4885

“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.