SCHEMBL2117160

SCHEMBL2117160

OCCCN1CCC(OC(F)F)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 8/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.33
HRH1 P35367 2/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
NPC1 O15118 1/20 0.33
MLNR O43193 1/20 0.33
NR1I2 O75469 1/20 0.33
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
FYN P06241 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
ABCB1 P08183 1/20 0.33
ADRB1 P08588 1/20 0.33
HTR1A P08908 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
SCHEMBL2114423 0.86 TLR9 (0.36) BCHEMEN1KMT2ALMNAPOLB
SCHEMBL18012128 0.82 BCHE (0.33) BCHELMNAHRH1NPC1MLNR
SCHEMBL2117158 0.82 BCHE (0.36) BCHELMNAHRH1NPC1MLNR
SCHEMBL17967492 0.82 BCHE (0.33) BCHELMNAHRH1NPC1MLNR
SCHEMBL2117313 0.80 CHRNB2 (0.36) BCHEHTR1AACHE
SCHEMBL2116336 0.80 BCHE (0.37) BCHEMEN1KMT2ALMNAPOLB
SCHEMBL19888516 0.78 CHRM2 (0.36) BCHELMNAHRH1NPC1MLNR
SCHEMBL18013056 0.78 HRH3 (0.42) DRD2SLC6A4
SCHEMBL2116387 0.76 HRH3 (0.37) MEN1KMT2ALMNAPOLBHRH1
SCHEMBL2116796 0.75 NPC1 (0.43) BCHEMEN1KMT2ALMNAPOLB

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 2267/4885MEN1 1263/4885KMT2A 394/4885

“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.