SCHEMBL2116571

SCHEMBL2116571

[O]CCCN1CCC(CCOCCCl)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.40
SIGMAR1 Q99720 4/20 0.35
DRD2 P14416 3/20 0.35
HTR2A P28223 3/20 0.35
HTR2C P28335 3/20 0.35
HTR2B P41595 3/20 0.35
TMEM97 Q5BJF2 1/20 0.35
ACHE P22303 1/20 0.34
GNAO1 P09471 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL5271225 0.91 HRH3 (0.35) HRH3SIGMAR1TMEM97GRIN2AGRIN2B
SCHEMBL2116573 0.84 HRH3 (0.42) HRH3SIGMAR1DRD2HTR2AHTR2C
SCHEMBL2116035 0.82 HRH3 (0.36) HRH3
SCHEMBL2115787 0.79 HRH3 (0.40) HRH3DRD2ACHEGNAO1SLC6A4
SCHEMBL5271230 0.76 HRH3 (0.36) HRH3SIGMAR1DRD2TMEM97ACHE
SCHEMBL2116580 0.74 GNAO1 (0.40) HRH3SIGMAR1DRD2GNAO1
SCHEMBL2115011 0.74 S1PR1 (0.39) HRH3
SCHEMBL3429181 0.74 HRH3 (0.34) HRH3ACHEGNAO1SLC6A4SLC6A3
SCHEMBL3424280 0.73 ACHE (0.45) HRH3DRD2HTR2AHTR2CHTR2B
SCHEMBL3272802 0.72 SIGMAR1 (0.40) HRH3SIGMAR1DRD2TMEM97ACHE

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 1/4885SIGMAR1 86/4885DRD2 458/4885

“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.