SCHEMBL2116796

SCHEMBL2116796

OCCCN1CCC(OCCF)CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
BCHE P06276 5/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
HRH1 P35367 1/20 0.34
SIGMAR1 Q99720 2/20 0.33
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 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
SCHEMBL5267864 0.90 ESR1 (0.33) NPC1MEN1KMT2ALMNAPOLB
SCHEMBL2116795 0.84 NPC1 (0.42) NPC1BCHESIGMAR1CARM1PRMT6
SCHEMBL26493887 0.83 NPC1 (0.41) NPC1MEN1KMT2ABCHELMNA
SCHEMBL2118658 0.80 NPC1 (0.39) NPC1BCHEHRH1
SCHEMBL2114252 0.80 HRH1 (0.40) NPC1MEN1KMT2ABCHELMNA
SCHEMBL2886464 0.79 NPC1 (0.35) NPC1HRH1
SCHEMBL26493937 0.78 NPC1 (0.40) NPC1KMT2ABCHE
SCHEMBL22852605 0.76 HRH3 (0.39) NPC1SIGMAR1CARM1PRMT6
SCHEMBL2116387 0.76 HRH3 (0.37) MEN1KMT2ALMNAPOLBHRH1
SCHEMBL2117160 0.75 BCHE (0.36) NPC1MEN1KMT2ABCHELMNA

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 NPC1 3767/4885MEN1 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.