SCHEMBL2115787

SCHEMBL2115787

COCCC1CCN(CCC[O])CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.40
GNAO1 P09471 1/20 0.40
HTR4 Q13639 5/20 0.38
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
ACHE P22303 4/20 0.36
BCHE P06276 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
AKR1C3 P42330 1/20 0.35
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL2114373 0.90 HTR4 (0.35) HRH3GNAO1HTR4DRD2DRD3
SCHEMBL4371147 0.86 HRH3 (0.39) HRH3GNAO1DRD2DRD3CHRM2
SCHEMBL23205040 0.83 KDM1A (0.40) HRH3GNAO1
SCHEMBL2115788 0.83 HRH3 (0.42) HRH3GNAO1HTR4DRD2DRD3
SCHEMBL3272802 0.83 SIGMAR1 (0.40) HRH3GNAO1DRD2DRD3ACHE
SCHEMBL4376649 0.82 HSD11B1 (0.39) HRH3GNAO1DRD2DRD3
SCHEMBL19865663 0.81 GNAO1 (0.60) HRH3GNAO1HTR4
SCHEMBL3429181 0.81 HRH3 (0.34) HRH3GNAO1HTR4ACHECHRM4
SCHEMBL2116346 0.81 CHRNB4 (0.36) HRH3ACHEBCHE
SCHEMBL20231540 0.80 DRD2 (0.42) HRH3GNAO1HTR4DRD2

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 1/4885GNAO1 2673/4885HTR4 25/4885

“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.