SCHEMBL2118658

SCHEMBL2118658

OCCCN1CCCC(OCCF)C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
HTR1A P08908 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ACHE P22303 1/20 0.33
MAOB P27338 1/20 0.33
BCHE P06276 1/20 0.33
HRH3 Q9Y5N1 5/20 0.32
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32

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
SCHEMBL5267864 0.90 ESR1 (0.33) NPC1HRH1
SCHEMBL2118654 0.86 NPC1 (0.38) NPC1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2116431 0.83 BCHE (0.39) CHRNB2CHRNB4CHRNA3CHRNA4KDM4E
SCHEMBL2116796 0.80 NPC1 (0.43) NPC1BCHEHRH1
SCHEMBL2886464 0.80 NPC1 (0.35) NPC1HRH1
SCHEMBL2116532 0.79 ACHE (0.39) CHRNB2CHRNB4CHRNA3CHRNA4HTR1A
SCHEMBL2117313 0.78 CHRNB2 (0.36) CHRNB2CHRNB4CHRNA3CHRNA4HTR1A
SCHEMBL2116892 0.77 CHRNB2 (0.35) CHRNB2CHRNB4CHRNA3CHRNA4KDM4E
SCHEMBL5267861 0.76 NPC1 (0.33) NPC1
SCHEMBL2116802 0.76 CHRNB2 (0.34) CHRNB2CHRNB4CHRNA3CHRNA4HTR1A

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 NPC1 3767/4885CHRNB2 2027/4885CHRNB4 1011/4885

“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.