SCHEMBL2116800

SCHEMBL2116800

CC(F)OC1CCCN(CCC[O])C1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
CYP3A4 P08684 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
HDAC4 P56524 2/20 0.32

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
SCHEMBL2117310 0.88 HDAC4 (0.34) BCHESMN1; SMN2CHRNB2CHRNB4CHRNA3
SCHEMBL2116889 0.86 BCHE (0.34) BCHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2116802 0.85 CHRNB2 (0.34) BCHESMN1; SMN2CHRNB2CHRNB4CHRNA3
SCHEMBL2114421 0.81 BCHE (0.36) BCHE
SCHEMBL2116531 0.80 BCHE (0.38) BCHESMN1; SMN2CHRNB2CHRNB4CHRNA3
SCHEMBL2116429 0.77 BCHE (0.39) BCHESMN1; SMN2CHRNB2CHRNB4CHRNA3
SCHEMBL2115837 0.77 BCHE (0.36) BCHE
SCHEMBL2118654 0.75 NPC1 (0.38) BCHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL19885287 0.73 CHRM2 (0.34)
SCHEMBL2116167 0.73 BCHE (0.38) BCHE

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 2267/4885SMN1; SMN2 4263/4885CHRNB2 2027/4885

“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.