SCHEMBL2116637

SCHEMBL2116637

COC(C)C1CCCN(CCC[O])C1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.35
MAOA P21397 1/20 0.31
ACHE P22303 1/20 0.31
MAOB P27338 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HRH3 Q9Y5N1 3/20 0.31
HTR1A P08908 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
SCHEMBL2116525 0.91 CYP2D6 (0.31) BCHE
SCHEMBL2116639 0.85 ACHE (0.39) BCHEACHEMAOBKDM4EALDH1A1
SCHEMBL2116167 0.84 BCHE (0.38) BCHE
SCHEMBL2118266 0.82 GNAO1 (0.36)
SCHEMBL2115837 0.81 BCHE (0.36) BCHEMAOAACHEMAOB
SCHEMBL2116526 0.75 GBA1 (0.36) ACHEMAOBHTR1A
SCHEMBL2116531 0.74 BCHE (0.38) BCHE
SCHEMBL2116364 0.74 BCHE (0.33) BCHEHRH3HTR1A
SCHEMBL24844021 0.72 KAT2B (0.38) MAOBKDM4EALDH1A1HRH3HTR1A
SCHEMBL2115339 0.72 CHRNB4 (0.33)

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 BCHE 2267/4885MAOA 777/4885ACHE 3180/4885

“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.