SCHEMBL2115508

SCHEMBL2115508

Cn1cc(-c2ccc(OC3CCNCC3)cc2)ccc1=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.63
TLR8 Q9NR97 3/20 0.49
HRH1 P35367 2/20 0.47
TLR9 Q9NR96 2/20 0.46
TLR7 Q9NYK1 2/20 0.46
TLR4 O00206 1/20 0.46
BRD4 O60885 2/20 0.43
ROCK2 O75116 1/20 0.41
PRKACA P17612 1/20 0.41
PRKCD Q05655 1/20 0.41
ROCK1 Q13464 1/20 0.41
PRKG1 Q13976 1/20 0.41
PKN1 Q16512 1/20 0.41
PKN2 Q16513 1/20 0.41
AAK1 Q2M2I8 1/20 0.41
CDC42BPA Q5VT25 1/20 0.41
Q6ZSR9 Q6ZSR9 1/20 0.41
BMP2K Q9NSY1 1/20 0.41
CDC42BPB Q9Y5S2 1/20 0.41
KHK P50053 1/20 0.41

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
SCHEMBL2114649 0.80 HRH3 (0.65) HRH3
SCHEMBL2019376 0.80 HRH1 (0.70) HRH3TLR8HRH1TLR9TLR7
SCHEMBL2116201 0.79 HRH3 (0.66) HRH3KCNH2
SCHEMBL2114720 0.79 HRH3 (0.66) HRH3KCNH2
SCHEMBL1376004 0.77 HRH3 (1.00) HRH3HRH1KCNH2
SCHEMBL2114611 0.74 GPR119 (0.56) HRH3
SCHEMBL5204218 0.74 HRH1 (0.79) HRH3HRH1ROCK1KHKKCNH2
SCHEMBL14431595 0.72 HRH1 (0.59) HRH3HRH1
SCHEMBL23122411 0.71 HRH3 (0.49) HRH3BRD4ROCK1GSK3BDYRK1A
SCHEMBL942628 0.70 HRH1 (0.66) HRH3TLR8HRH1TLR9TLR7

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 HRH3 1/4885TLR8 1832/4885HRH1 3/4885

“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.