SCHEMBL2114313

SCHEMBL2114313

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.34
OPRL1 P41146 5/20 0.34
OPRM1 P35372 4/20 0.34
OPRK1 P41145 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
POLB P06746 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PHGDH O43175 1/20 0.32
MGLL Q99685 1/20 0.32
ACKR3 P25106 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ABCB1 P08183 1/20 0.31
HTR6 P50406 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
SCHEMBL2115192 0.98 OPRM1 (0.32) SLC18A3OPRL1OPRM1OPRK1SIGMAR1
SCHEMBL2113705 0.94 HRH3 (0.31)
SCHEMBL2115959 0.85
SCHEMBL2114316 0.82 PHGDH (0.34) SLC18A3OPRL1OPRM1OPRK1POLB
SCHEMBL2115182 0.82 SLC18A3 (0.35) SLC18A3OPRL1OPRM1OPRK1SIGMAR1
SCHEMBL2117622 0.81 HRH3 (0.38) SLC18A3OPRL1OPRM1OPRK1SIGMAR1
SCHEMBL2116441 0.81
SCHEMBL2115193 0.80 TSHR (0.35) SLC18A3OPRM1OPRK1PHGDHMGLL
SCHEMBL5266154 0.78 HRH3 (0.36) SLC18A3OPRL1OPRM1OPRK1SIGMAR1
SCHEMBL2113708 0.76 HRH3 (0.32)

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 SLC18A3 2608/4885OPRL1 188/4885OPRM1 22/4885

“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.