SCHEMBL2118491

SCHEMBL2118491

[O]CCCN1CCC(CF)CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.36
GNAO1 P09471 3/20 0.34
CCR3 P51677 1/20 0.34
KCNH2 Q12809 1/20 0.33
GNAI3 P08754 2/20 0.32
GNAI1 P63096 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
HRH3 Q9Y5N1 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
SCHEMBL2116580 0.86 GNAO1 (0.40) SIGMAR1GNAO1KCNH2HRH3
SCHEMBL2116260 0.80 GNAI3 (0.39) GNAO1KCNH2GNAI3GNAI1HRH3
SCHEMBL4417561 0.79 NCF1 (0.50) SIGMAR1GNAO1CCR3GNAI3GNAI1
SCHEMBL2118494 0.79 CHRM2 (0.36) SIGMAR1GNAO1CCR3HRH3
SCHEMBL2116403 0.79 GNAO1 (0.41) SIGMAR1GNAO1CCR3KCNH2GNAI3
SCHEMBL3424493 0.79 HRH3 (0.42) SIGMAR1GNAO1CCR3KCNH2SLC6A4
SCHEMBL2119095 0.79 SIGMAR1 (0.33) SIGMAR1GNAO1
SCHEMBL5271415 0.77 BCHE (0.36)
SCHEMBL3424280 0.76 ACHE (0.45) GNAO1KCNH2SLC6A2SLC6A4HRH3
SCHEMBL2116456 0.74 CARM1 (0.52) SIGMAR1KCNH2HRH3

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 SIGMAR1 86/4885GNAO1 2673/4885CCR3 1099/4885

“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.