SCHEMBL2114252

SCHEMBL2114252

CCOC1CCN(CCCO)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
GNAI3 P08754 2/20 0.37
GNAO1 P09471 2/20 0.37
GNAI1 P63096 2/20 0.37
NPC1 O15118 1/20 0.36
CHRM3 P20309 6/20 0.35
TMEM97 Q5BJF2 1/20 0.35
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
PRMT8 Q9NR22 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
BCHE P06276 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
SCHEMBL2116173 0.89 HRH1 (0.39) HRH1MEN1KMT2ALMNAPOLB
SCHEMBL12464288 0.89 SLC18A3 (0.41) HRH1KMT2ALMNANPC1TMEM97
SCHEMBL12464727 0.85 GNAO1 (0.47) GNAI3GNAO1GNAI1NPC1CHRM3
SCHEMBL27539714 0.81 KEAP1 (0.42) GNAI3GNAO1GNAI1NPC1CHRM3
SCHEMBL2114250 0.81 GNAI3 (0.37) GNAI3GNAO1GNAI1NPC1CHRM3
SCHEMBL2116387 0.81 HRH3 (0.37) HRH1MEN1KMT2ALMNAPOLB
SCHEMBL26493887 0.81 NPC1 (0.41) HRH1MEN1KMT2ALMNAPOLB
SCHEMBL22477411 0.80 HRH3 (0.45) GNAI3GNAO1GNAI1NPC1TMEM97
SCHEMBL2116796 0.80 NPC1 (0.43) HRH1MEN1KMT2ALMNAPOLB
SCHEMBL26747547 0.80 GNAO1 (0.41) HRH1GNAI3GNAO1GNAI1NPC1

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 HRH1 3/4885MEN1 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.