SCHEMBL2116037

SCHEMBL2116037

OCCCN1CCCC(CCOCCCl)C1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.37
MAOB P27338 1/20 0.37
HRH3 Q9Y5N1 4/20 0.36
CHRNB2 P17787 5/20 0.34
CHRNB4 P30926 5/20 0.34
CHRNA3 P32297 5/20 0.34
CHRNA4 P43681 5/20 0.34
KDM4E B2RXH2 1/20 0.34
SLC6A2 P23975 1/20 0.33
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
SCHEMBL5271230 0.92 HRH3 (0.36) ACHEHRH3
SCHEMBL2116035 0.86 HRH3 (0.36) HRH3CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2116573 0.82 HRH3 (0.42) ACHEHRH3
SCHEMBL2116349 0.81 ACHE (0.43) ACHEMAOBHRH3CHRNB2CHRNB4
SCHEMBL5271225 0.77 HRH3 (0.35) HRH3
SCHEMBL2117631 0.76 MAOB (0.41) ACHEMAOBCHRNB2CHRNB4CHRNA3
SCHEMBL2115012 0.75 S1PR1 (0.39) HRH3
SCHEMBL2116391 0.73 S1PR1 (0.39) HRH3
SCHEMBL4381605 0.72 GBA1 (0.41) ACHEMAOBCHRNB2CHRNB4CHRNA3
SCHEMBL5271419 0.72 ACHE (0.40) ACHEMAOBCHRNB2CHRNB4CHRNA3

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 ACHE 3180/4885MAOB 643/4885HRH3 1/4885

“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.