SCHEMBL2118266

SCHEMBL2118266

COC(C)C1CCN(CCC[O])CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 6/20 0.36
GNAI3 P08754 5/20 0.36
GNAI1 P63096 5/20 0.36
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DRD2 P14416 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
KCNH2 Q12809 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31

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
SCHEMBL2116525 0.92 CYP2D6 (0.31) GNAO1GNAI3GNAI1
SCHEMBL2116402 0.83 GNAO1 (0.39) GNAO1GNAI3GNAI1SMN1; SMN2SIGMAR1
SCHEMBL2116637 0.82 BCHE (0.35)
SCHEMBL2118268 0.82 HRH1 (0.37) GNAO1GNAI3GNAI1KMT2AMEN1
SCHEMBL2116363 0.80 GNAO1 (0.37) GNAO1GNAI3GNAI1KMT2AMEN1
SCHEMBL24288645 0.77 SMN1; SMN2 (0.41) KMT2AMEN1SMN1; SMN2
SCHEMBL2116364 0.76 BCHE (0.33) GNAO1GNAI3GNAI1DRD2SIGMAR1
SCHEMBL2116384 0.76 HRH3 (0.37) GNAO1GNAI3GNAI1KMT2ASMN1; SMN2
SCHEMBL2116526 0.75 GBA1 (0.36) DRD2SIGMAR1
SCHEMBL2114447 0.74 BCHE (0.32) GNAO1GNAI3GNAI1DRD2SIGMAR1

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 2673/4885GNAI3 3293/4885GNAI1 2800/4885

“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.