SCHEMBL2117629

SCHEMBL2117629

[O]CCCN1CCCC(CCF)C1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.37
CHRNB4 P30926 4/20 0.35
CHRNA3 P32297 4/20 0.35
CHRNB2 P17787 3/20 0.35
CHRNA4 P43681 3/20 0.35
BCHE P06276 6/20 0.35
BACE1 P56817 1/20 0.34
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
SCHEMBL2119095 0.89 SIGMAR1 (0.33)
SCHEMBL5271415 0.88 BCHE (0.36) CHRNB4CHRNA3CHRNB2CHRNA4BCHE
SCHEMBL2117631 0.85 MAOB (0.41) MAOBCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL2116346 0.81 CHRNB4 (0.36) MAOBCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL2116580 0.78 GNAO1 (0.40)
SCHEMBL2116035 0.77 HRH3 (0.36) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL14968359 0.77 HRH3 (0.39) BCHE
SCHEMBL4381603 0.74 KDM2B (0.39) MAOBCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL2118654 0.74 NPC1 (0.38) CHRNB4CHRNA3CHRNB2CHRNA4BCHE
SCHEMBL12718244 0.74 BCHE (0.41) BCHECARM1PRMT6

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 MAOB 643/4885CHRNB4 1011/4885CHRNA3 780/4885

“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.