SCHEMBL2116431

SCHEMBL2116431

CCOC1CCCN(CCCO)C1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.39
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
ACHE P22303 1/20 0.35
MAOB P27338 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
SCHEMBL15806853 0.90 ALDH1A1 (0.37) BCHEKDM4EALDH1A1
SCHEMBL2116173 0.90 HRH1 (0.39) BCHEHRH1
SCHEMBL2116429 0.84 BCHE (0.39) BCHEKDM4EALDH1A1CHRNB2CHRNB4
SCHEMBL2116532 0.83 ACHE (0.39) BCHEKDM4EALDH1A1CHRNB2CHRNB4
SCHEMBL2118658 0.83 NPC1 (0.39) BCHEKDM4EALDH1A1CHRNB2CHRNB4
SCHEMBL2114252 0.80 HRH1 (0.40) BCHEHRH1
SCHEMBL24556397 0.79 BCHE (0.40) BCHEKDM4EALDH1A1CHRNB2CHRNB4
SCHEMBL12464725 0.79 CYP3A4 (0.44) BCHEKDM4E
SCHEMBL12464724 0.79 NPC1 (0.41) KDM4EALDH1A1HRH1
SCHEMBL2116802 0.77 CHRNB2 (0.34) BCHEKDM4EALDH1A1CHRNB2CHRNB4

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 BCHE 2267/4885KDM4E 368/4885ALDH1A1 596/4885

“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.