SCHEMBL2114447

SCHEMBL2114447

CC(F)C1CCN(CCC[O])C1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.32
GNAI3 P08754 2/20 0.32
GNAO1 P09471 2/20 0.32
GNAI1 P63096 2/20 0.32
SIGMAR1 Q99720 1/20 0.30
HTR1A P08908 1/20 0.30
DRD2 P14416 1/20 0.30
DRD1 P21728 1/20 0.30
DRD4 P21917 1/20 0.30
DRD5 P21918 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL2115837 0.90 BCHE (0.36) BCHE
SCHEMBL2116363 0.89 GNAO1 (0.37) GNAI3GNAO1GNAI1SIGMAR1HTR1A
SCHEMBL2116364 0.86 BCHE (0.33) BCHEGNAI3GNAO1GNAI1SIGMAR1
SCHEMBL2114448 0.83 GBA1 (0.34) BCHEGNAI3GNAO1GNAI1HTR1A
SCHEMBL2116525 0.80 CYP2D6 (0.31) BCHEGNAI3GNAO1GNAI1
SCHEMBL2116402 0.78 GNAO1 (0.39) GNAI3GNAO1GNAI1SIGMAR1
SCHEMBL2116167 0.76 BCHE (0.38) BCHE
SCHEMBL2118266 0.74 GNAO1 (0.36) GNAI3GNAO1GNAI1SIGMAR1DRD2
SCHEMBL2116555 0.74 HRH3 (0.39) BCHEGNAI3GNAO1GNAI1HTR1A
SCHEMBL2115839 0.73 BCHE (0.36) BCHEHTR1A

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 2267/4885GNAI3 3293/4885GNAO1 2673/4885

“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.