SCHEMBL2116405

SCHEMBL2116405

CCC1CCN(CCCO)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

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
ALB P02768 1/20 0.38
ACHE P22303 1/20 0.38
MAOB P27338 1/20 0.38
HRH1 P35367 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD2 P14416 1/20 0.36
CHRM3 P20309 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
EPHX1 P07099 1/20 0.35
EPHX2 P34913 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
SCHEMBL29244364 0.92 GNAO1 (0.46) GNAO1GNAI3GNAI1KCNH2MAOB
SCHEMBL2116543 0.88 HTR1A (0.38) GNAO1GNAI3GNAI1KCNH2ALB
SCHEMBL218251 0.87 SLC18A3 (0.44) GNAO1GNAI3GNAI1KCNH2HRH1
SCHEMBL23828683 0.87 GNAO1 (0.46) GNAO1GNAI3GNAI1KCNH2
SCHEMBL3424498 0.83 ACHE (0.44) GNAO1ALBACHEMAOBCHRM2
SCHEMBL14380838 0.83 GNAO1 (0.52) GNAO1GNAI3GNAI1KCNH2EPHX1
SCHEMBL2148991 0.82 GNAO1 (0.53) GNAO1GNAI3GNAI1KCNH2HRH1
SCHEMBL15223935 0.81 HTR1A (0.43) KCNH2HRH1CHRM2DRD2DRD4
SCHEMBL24753348 0.81 GNAO1 (0.60) GNAO1GNAI3GNAI1KCNH2DRD4
SCHEMBL3424285 0.81 ACHE (0.48) GNAO1KCNH2ALBACHEMAOB

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 4 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
CN-1750824-A 4- [ (2, 4-dichloro-5-methoxyphenyl) amino ] -6-alkoxy-3-cyanoquinolines for the treatment of ischemic injury WYETH CORP (US) 2006-03-22 CN 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.