SCHEMBL2117313

SCHEMBL2117313

OCCCN1CCCC(OC(F)F)C1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
HDAC4 P56524 3/20 0.34
ACHE P22303 1/20 0.33
MAOB P27338 1/20 0.33
BCHE P06276 3/20 0.33
HTR1A P08908 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL2116802 0.88 CHRNB2 (0.34) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL2117310 0.84 HDAC4 (0.34) CHRNB2CHRNB4CHRNA3CHRNA4HDAC4
SCHEMBL2116892 0.82 CHRNB2 (0.35) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL28192983 0.81 DRD2 (0.43)
SCHEMBL2117160 0.80 BCHE (0.36) ACHEBCHEHTR1A
SCHEMBL2116532 0.79 ACHE (0.39) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL2118658 0.78 NPC1 (0.39) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL19124102 0.77 CYP3A4 (0.45) HDAC4BCHEKDM4EALDH1A1
SCHEMBL2116431 0.76 BCHE (0.39) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL24556397 0.75 BCHE (0.40) CHRNB2CHRNB4CHRNA3CHRNA4ACHE

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.