SCHEMBL2117622

SCHEMBL2117622

[O]C1CCN(C2CCCC(F)CCC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.38
L3MBTL3 Q96JM7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
OPRM1 P35372 2/20 0.33
OPRL1 P41146 2/20 0.33
SLC18A3 Q16572 1/20 0.33
OPRK1 P41145 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
POLB P06746 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPK1 P28482 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
SCHEMBL5266154 0.96 HRH3 (0.36) HRH3L3MBTL3L3MBTL1OPRM1OPRL1
SCHEMBL2115182 0.91 SLC18A3 (0.35) HRH3L3MBTL3L3MBTL1OPRM1OPRL1
SCHEMBL1814912 0.88 SLC18A3 (0.39) L3MBTL3L3MBTL1OPRM1OPRL1SLC18A3
SCHEMBL2113705 0.87 HRH3 (0.31) HRH3L3MBTL3L3MBTL1
SCHEMBL2115687 0.86 HRH3 (0.35) HRH3L3MBTL3L3MBTL1
SCHEMBL1828751 0.83 SLC18A3 (0.43) HRH3L3MBTL3L3MBTL1OPRM1OPRL1
SCHEMBL2115192 0.83 OPRM1 (0.32) L3MBTL3L3MBTL1OPRM1OPRL1SLC18A3
SCHEMBL2114313 0.81 SLC18A3 (0.34) OPRM1OPRL1SLC18A3OPRK1SIGMAR1
SCHEMBL17665810 0.80 SLC18A3 (0.47) HRH3OPRM1OPRL1SLC18A3POLB
SCHEMBL2117627 0.80 HRH3 (0.37) HRH3L3MBTL3L3MBTL1OPRM1SLC18A3

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 HRH3 1/4885L3MBTL3 2606/4885L3MBTL1 1713/4885

“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.