SCHEMBL2114375

SCHEMBL2114375

COCCC1CCN(CCCO)C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.36
ACHE P22303 3/20 0.35
MAOB P27338 2/20 0.35
HRH3 Q9Y5N1 4/20 0.35
HTR4 Q13639 2/20 0.35
ALB P02768 1/20 0.33
SLC6A4 P31645 1/20 0.33
HRH1 P35367 1/20 0.33
LTA4H P09960 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GNAO1 P09471 1/20 0.32
SIGMAR1 Q99720 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
SCHEMBL2116349 0.91 ACHE (0.43) GBA1ACHEMAOBHRH3SLC6A4
SCHEMBL2115788 0.90 HRH3 (0.42) ACHEMAOBHRH3HTR4ALB
SCHEMBL2114373 0.84 HTR4 (0.35) ACHEHRH3HTR4HRH1LTA4H
SCHEMBL5271230 0.80 HRH3 (0.36) ACHEHRH3HRH1MEN1KMT2A
SCHEMBL4381605 0.78 GBA1 (0.41) GBA1ACHEMAOBSLC6A4MEN1
SCHEMBL2119099 0.78 CHRM2 (0.36) ACHEMAOBHRH3ALBSIGMAR1
SCHEMBL2116543 0.78 HTR1A (0.38) GBA1ACHEMAOBALBHRH1
Iodide SCHEMBL15008786 0.77 HRH3 (0.35) GBA1HRH3HRH1LTA4HKMT2A
SCHEMBL3429374 0.77 ARG1 (0.43) GBA1ACHEMAOBHRH3ALB
SCHEMBL3427083 0.77 ARG1 (0.43) GBA1ACHEMAOBHRH3ALB

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 3901/4885ACHE 3180/4885MAOB 643/4885

“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.