SCHEMBL2116402

SCHEMBL2116402

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

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 7/20 0.39
GNAI3 P08754 6/20 0.39
GNAI1 P63096 6/20 0.39
SIGMAR1 Q99720 2/20 0.33
RAD52 P43351 1/20 0.33
KCNH2 Q12809 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL2116364 0.89 BCHE (0.33) GNAO1GNAI3GNAI1SIGMAR1KCNH2
SCHEMBL26494066 0.87 GNAO1 (0.44) GNAO1GNAI3GNAI1SIGMAR1
SCHEMBL2116363 0.85 GNAO1 (0.37) GNAO1GNAI3GNAI1SIGMAR1KCNH2
SCHEMBL1615678 0.83 GNAO1 (0.50) GNAO1GNAI3GNAI1KCNH2
SCHEMBL2118266 0.83 GNAO1 (0.36) GNAO1GNAI3GNAI1SIGMAR1KCNH2
SCHEMBL25075207 0.83 GNAI3 (0.38) GNAO1GNAI3GNAI1POLBHTT
SCHEMBL19604917 0.82 GNAO1 (0.58) GNAO1GNAI3GNAI1SIGMAR1KCNH2
SCHEMBL26850541 0.81 GNAO1 (0.44) GNAO1GNAI3GNAI1SIGMAR1RAD52
SCHEMBL2116406 0.80 GNAI3 (0.39) GNAO1GNAI3GNAI1SIGMAR1
SCHEMBL20224766 0.80 GBA1 (0.41) GNAO1GNAI3GNAI1SIGMAR1

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.