SCHEMBL2116334

SCHEMBL2116334

CC(CF)OC1CCN(CCC[O])CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 9/20 0.37
NPC1 O15118 1/20 0.35
MLNR O43193 1/20 0.35
NR1I2 O75469 1/20 0.35
EGFR P00533 1/20 0.35
LMNA P02545 1/20 0.35
ERBB2 P04626 1/20 0.35
FYN P06241 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
ABCB1 P08183 1/20 0.35
ADRB1 P08588 1/20 0.35
HTR1A P08908 1/20 0.35
CHRM5 P08912 1/20 0.35
ADRA2A P08913 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CHRM1 P11229 1/20 0.35
ADRB3 P13945 1/20 0.35
DRD2 P14416 1/20 0.35
ADRA2B P18089 1/20 0.35

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
SCHEMBL2116336 0.84 BCHE (0.37) BCHENPC1MLNRNR1I2EGFR
SCHEMBL2114421 0.84 BCHE (0.36) BCHENPC1MLNRNR1I2EGFR
SCHEMBL2116889 0.82 BCHE (0.34) BCHE
SCHEMBL2117158 0.80 BCHE (0.36) BCHENPC1MLNRNR1I2EGFR
SCHEMBL2116384 0.74 HRH3 (0.37) BCHENPC1MLNRNR1I2EGFR
SCHEMBL2116795 0.72 NPC1 (0.42) BCHENPC1
SCHEMBL2118491 0.72 SIGMAR1 (0.36) SLC6A2SLC6A4KCNH2
SCHEMBL2116363 0.71 GNAO1 (0.37) CHRM2HTR1AADRA2ADRD1ADRA1A
SCHEMBL2114250 0.71 GNAI3 (0.37) BCHENPC1CHRM3
SCHEMBL2116580 0.71 GNAO1 (0.40) CHRM2CHRM4HTR1ACHRM5ADRA2A

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 2267/4885NPC1 3767/4885MLNR 304/4885

“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.