SCHEMBL2116346

SCHEMBL2116346

COCCC1CCCN(CCC[O])C1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 7/20 0.36
CHRNA3 P32297 7/20 0.36
CHRNB2 P17787 6/20 0.36
CHRNA4 P43681 6/20 0.36
HTR2A P28223 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.34
MAOB P27338 1/20 0.34
KDM2B Q8NHM5 1/20 0.34
KAT2B Q92831 1/20 0.34
BACE1 P56817 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL2114373 0.91 HTR4 (0.35) ACHEHRH3
SCHEMBL4381603 0.88 KDM2B (0.39) CHRNB4CHRNA3CHRNB2CHRNA4HTR2A
SCHEMBL19977841 0.85 KDM2B (0.40) KDM2BKAT2BKDM4E
SCHEMBL19977816 0.85 KDM2B (0.40) KDM2BKAT2BKDM4E
SCHEMBL19977817 0.85 KDM2B (0.40) KDM2BKAT2BKDM4E
SCHEMBL2116349 0.85 ACHE (0.43) CHRNB4CHRNA3CHRNB2CHRNA4HTR2A
SCHEMBL4379797 0.84 KDM2B (0.40) CHRNB4CHRNA3CHRNB2CHRNA4KDM2B
SCHEMBL23870327 0.83 KDM2B (0.34) KDM2BKAT2BKDM4E
SCHEMBL2116035 0.81 HRH3 (0.36) CHRNB4CHRNA3CHRNB2CHRNA4HRH3
SCHEMBL2117629 0.81 MAOB (0.37) CHRNB4CHRNA3CHRNB2CHRNA4BCHE

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 CHRNB4 1011/4885CHRNA3 780/4885CHRNB2 2027/4885

“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.