SCHEMBL2116892

SCHEMBL2116892

CC(CF)OC1CCCN(CCCO)C1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
BCHE P06276 3/20 0.34
CYP3A4 P08684 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
ACHE P22303 1/20 0.33
MAOB P27338 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
SCHEMBL2116889 0.86 BCHE (0.34) CHRNB2CHRNB4CHRNA3CHRNA4BCHE
SCHEMBL2116802 0.86 CHRNB2 (0.34) CHRNB2CHRNB4CHRNA3CHRNA4BCHE
SCHEMBL2116336 0.82 BCHE (0.37) BCHEACHEMAOB
SCHEMBL2117313 0.82 CHRNB2 (0.36) CHRNB2CHRNB4CHRNA3CHRNA4BCHE
SCHEMBL2116532 0.77 ACHE (0.39) CHRNB2CHRNB4CHRNA3CHRNA4BCHE
SCHEMBL2118658 0.77 NPC1 (0.39) CHRNB2CHRNB4CHRNA3CHRNA4BCHE
SCHEMBL2116431 0.75 BCHE (0.39) CHRNB2CHRNB4CHRNA3CHRNA4BCHE
SCHEMBL24556397 0.74 BCHE (0.40) CHRNB2CHRNB4CHRNA3CHRNA4BCHE
SCHEMBL2115839 0.72 BCHE (0.36) BCHEKDM4EALDH1A1ACHEMAOB
SCHEMBL2116800 0.71 BCHE (0.34) CHRNB2CHRNB4CHRNA3CHRNA4BCHE

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

“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.