SCHEMBL2113723

SCHEMBL2113723

CC(C)C1CCCCN1CCCO

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
SLC6A9 P48067 1/20 0.34
NR1H4 Q96RI1 1/20 0.33
OPRD1 P41143 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
SCHEMBL2113628 0.95 HRH3 (0.37) GBA1HRH3SLC6A9OPRD1
SCHEMBL2118726 0.86 GBA1 (0.33) GBA1NR1H4OPRD1
SCHEMBL19684428 0.84 S1PR1 (0.39) HRH3
SCHEMBL2116396 0.83 GBA1 (0.34) GBA1
SCHEMBL14472558 0.83 HRH3 (0.39) HRH3SLC6A9
SCHEMBL2113722 0.82 HRH3 (0.34) HRH3SLC6A9
SCHEMBL2117169 0.81 OPRD1 (0.34) GBA1NR1H4OPRD1
SCHEMBL16980418 0.79 KCNK3 (0.36) GBA1HRH3SLC6A9
SCHEMBL9516175 0.79 CYP1A2 (0.32) HRH3
SCHEMBL2115341 0.78 GBA1 (0.35) GBA1OPRD1

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 3901/4885HRH3 1/4885SLC6A9 3171/4885

“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.