SCHEMBL2116403

SCHEMBL2116403

CCC1CCN(CCC[O])CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 7/20 0.41
GNAI3 P08754 6/20 0.40
GNAI1 P63096 6/20 0.40
KCNH2 Q12809 1/20 0.39
EPHX1 P07099 1/20 0.35
EPHX2 P34913 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
HTR1A P08908 1/20 0.35
CHRM5 P08912 1/20 0.35
ADRA2A P08913 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD2 P14416 1/20 0.35
ADRA2B P18089 1/20 0.35
CHRM3 P20309 1/20 0.35
DRD4 P21917 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35

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
SCHEMBL2116542 0.88 GNAO1 (0.36) GNAO1GNAI3GNAI1KCNH2HTR1A
SCHEMBL23828683 0.87 GNAO1 (0.46) GNAO1GNAI3GNAI1KCNH2HRH3
SCHEMBL27357665 0.83 GNAO1 (0.41) GNAO1GNAI3GNAI1KCNH2HRH3
SCHEMBL14380838 0.83 GNAO1 (0.52) GNAO1GNAI3GNAI1KCNH2EPHX1
Hydrochloric Acid SCHEMBL30330581 0.81 GNAO1 (0.55) GNAO1GNAI3GNAI1KCNH2EPHX1
Fluoride SCHEMBL30329882 0.81 GNAO1 (0.50) GNAO1GNAI3GNAI1KCNH2EPHX1
SCHEMBL24753348 0.81 GNAO1 (0.60) GNAO1GNAI3GNAI1KCNH2HTR1A
SCHEMBL2116405 0.79 GNAO1 (0.41) GNAO1GNAI3GNAI1KCNH2EPHX1
SCHEMBL3424493 0.79 HRH3 (0.42) GNAO1KCNH2EPHX1EPHX2HRH3
SCHEMBL2207870 0.79 KEAP1 (0.47) GNAO1GNAI3GNAI1KCNH2CHRM1

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.