SCHEMBL2116542

SCHEMBL2116542

CCC1CCN(CCC[O])C1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 3/20 0.36
BCHE P06276 4/20 0.36
HTR1A P08908 7/20 0.35
DRD1 P21728 7/20 0.35
DRD4 P21917 7/20 0.35
DRD5 P21918 7/20 0.35
DRD3 P35462 7/20 0.35
DRD2 P14416 7/20 0.35
GNAI3 P08754 2/20 0.34
GNAI1 P63096 2/20 0.34
KCNH2 Q12809 1/20 0.34
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
PTPN2 P17706 1/20 0.33
HTR2A P28223 1/20 0.32
HTR7 P34969 1/20 0.32
HTR6 P50406 1/20 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
SCHEMBL2116403 0.88 GNAO1 (0.41) GNAO1HTR1ADRD4DRD2GNAI3
SCHEMBL24134595 0.84 HTR1A (0.46) GNAO1HTR1ADRD1DRD4DRD5
SCHEMBL15780399 0.84 HTR1A (0.46) GNAO1HTR1ADRD1DRD4DRD5
Fluoride SCHEMBL30212657 0.81 GNAO1 (0.50) GNAO1BCHEHTR1ADRD1DRD4
SCHEMBL17277603 0.81 GNAO1 (0.40) GNAO1BCHEHTR1ADRD1DRD4
SCHEMBL3429372 0.81 ARG1 (0.45) GNAO1BCHE
Hydrochloric Acid SCHEMBL30213211 0.81 GNAO1 (0.55) GNAO1BCHEHTR1ADRD1DRD4
SCHEMBL3427082 0.81 ARG1 (0.45) GNAO1BCHE
SCHEMBL2116543 0.81 HTR1A (0.38) GNAO1BCHEHTR1ADRD1DRD4
SCHEMBL29645050 0.79 DRD2 (0.44) DRD1DRD4DRD5DRD3DRD2

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 GNAO1 2673/4885BCHE 2267/4885HTR1A 14/4885

“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.