SCHEMBL2114233

SCHEMBL2114233

COC1CCN(CCC[O])C1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
LTA4H P09960 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM3 P20309 1/20 0.33
HRH2 P25021 1/20 0.31
HRH1 P35367 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
CDC7 O00311 1/20 0.31
PIM1 P11309 1/20 0.31
CSNK2B P67870 1/20 0.31
CSNK2A1 P68400 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 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
SCHEMBL6044042 0.95 GRIN1 (0.35) GRIN1GRIN2BLTA4HCHRM2CHRM3
SCHEMBL2116531 0.89 BCHE (0.38)
SCHEMBL2116384 0.89 HRH3 (0.37) CHRM2CHRM3HRH2HRH1HRH3
SCHEMBL6043375 0.89 GRIN1 (0.37) GRIN1GRIN2BLTA4HCDC7PIM1
SCHEMBL18165089 0.85 LTA4H (0.33) GRIN1GRIN2BLTA4HCHRM2CHRM3
SCHEMBL14968345 0.84 EBP (0.34)
SCHEMBL14749186 0.83 GNAI3 (0.42)
SCHEMBL14749169 0.83 GNAI3 (0.42)
SCHEMBL4023156 0.83 GNAI3 (0.38) CHRM2CHRM3HRH3
SCHEMBL12912029 0.83 GNAI3 (0.42)

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 9 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
US-20060099641-A1 Method of making libraries and anti-ligands BIOINVENT INTERNATIONAL AB (SE) 2006-05-11 US disclosed
US-20060089355-A1 Methods of treating alzheimer's disease using aromatically substituted w-amino-alkanoic acid amides and alkanoic acid diamides ELAN PHARMACEUTICALS, INC. 2006-04-27 US disclosed
EP-1470225-A1 METHOD OF MAKING LIBRARIES OF ANTI-LIGANDS Bioinvent International AB (SE) 2004-10-27 EP disclosed
WO-2003064648-A1 METHOD OF MAKING LIBRARIES OF ANTI-LIGANDS BIOINVENT INTERNATIONAL AB (SE) 2003-08-07 WO disclosed
US-5641778-A EXHIBIT RENIN-INHIBITING PROPERTIES AND CAN BE USED AS ANTIHYPERTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-06-24 US disclosed
EP-0716077-A1 Aromatically substituted omega amino alcanoic acid amides and alcanoic diamides and their use as renine inhibitors CIBA-GEIGY AG (CH) 1996-06-12 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 (2 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-20060089355-A1 Methods of treating alzheimer's disease using aromatically substituted w-amino-alkanoic acid amides and alkanoic acid diamides APP, BACE1, BACE2 GRIN1 673/4885GRIN2B 699/4885LTA4H 900/4885
US-20080269287-A1 Substituted Pyridone Derivative HRH3, HRH4, HRH1 GRIN1 595/4885GRIN2B 1398/4885LTA4H 250/4885

“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.