SCHEMBL2115341

SCHEMBL2115341

COC(C)C1CCCN1CCCO

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.35
OPRD1 P41143 2/20 0.33
CHRNB4 P30926 4/20 0.33
CHRNA3 P32297 4/20 0.33
GBA2 Q9HCG7 2/20 0.30

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
SCHEMBL2116396 0.95 GBA1 (0.34) GBA1
SCHEMBL27868590 0.85 GBA2 (0.37) GBA1CHRNB4CHRNA3GBA2
SCHEMBL2115339 0.84 CHRNB4 (0.33) CHRNB4CHRNA3
SCHEMBL2113628 0.83 HRH3 (0.37) GBA1OPRD1
SCHEMBL2117169 0.80 OPRD1 (0.34) GBA1OPRD1
SCHEMBL2116395 0.79 SCN1A (0.31)
SCHEMBL2113723 0.78 GBA1 (0.34) GBA1OPRD1
SCHEMBL25540260 0.78 L3MBTL1 (0.36) CHRNB4CHRNA3
SCHEMBL2118726 0.75 GBA1 (0.33) GBA1OPRD1
SCHEMBL20440714 0.75 CHRNB4 (0.31) CHRNB4CHRNA3

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 GBA1 3901/4885OPRD1 45/4885CHRNB4 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.