SCHEMBL2114406

SCHEMBL2114406

[O]C1CCN(C2CCCCCC(Cl)C2)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SIGMAR1 Q99720 3/20 0.36
SLC18A3 Q16572 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
PARP1 P09874 3/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2B6 P20813 1/20 0.33
HRH3 Q9Y5N1 3/20 0.33
KCNH2 Q12809 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 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
SCHEMBL2114619 0.98 SIGMAR1 (0.33) POLBHSD17B10SIGMAR1SLC18A3MEN1
SCHEMBL2115415 0.94 PARP1 (0.31) POLBHSD17B10SIGMAR1PARP1HRH3
SCHEMBL2116536 0.85
SCHEMBL2114409 0.82 POLB (0.35) POLBHSD17B10SIGMAR1SLC18A3MEN1
SCHEMBL2118736 0.82 POLB (0.37) POLBHSD17B10SIGMAR1SLC18A3MEN1
SCHEMBL2118575 0.81 ALPL (0.36) POLBHSD17B10SIGMAR1SLC18A3KMT2A
SCHEMBL2114015 0.81 SIGMAR1 (0.30) SIGMAR1
SCHEMBL2114621 0.80 TSHR (0.35) POLBHSD17B10SIGMAR1SLC18A3MEN1
SCHEMBL2115024 0.78 ALPL (0.35) POLBHSD17B10SIGMAR1SLC18A3KMT2A
SCHEMBL2115416 0.76 HRH3 (0.34) PARP1HRH3

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 POLB 3462/4885HSD17B10 504/4885SIGMAR1 86/4885

“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.