SCHEMBL2114277

SCHEMBL2114277

[O]C1CCN(C2CCCC(O)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
SLC18A3 Q16572 1/20 0.35
HRH3 Q9Y5N1 3/20 0.35
SIGMAR1 Q99720 2/20 0.33
POLB P06746 1/20 0.33
HSD17B10 Q99714 1/20 0.33
OPRM1 P35372 2/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OGFRL1 Q5TC84 1/20 0.33
PHGDH O43175 1/20 0.32
MGLL Q99685 1/20 0.32
L3MBTL3 Q96JM7 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
OPRL1 P41146 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL2117147 0.96 TSHR (0.42) TSHRSLC18A3HRH3SIGMAR1POLB
SCHEMBL2115220 0.96 TSHR (0.39) TSHRSLC18A3HRH3SIGMAR1POLB
SCHEMBL2114982 0.91 LMNA (0.32) TSHRSLC18A3HRH3SIGMAR1POLB
SCHEMBL2114280 0.89 TSHR (0.41) TSHRSLC18A3HRH3POLBHSD17B10
SCHEMBL2117149 0.85 TSHR (0.48) TSHRSLC18A3HRH3POLBHSD17B10
SCHEMBL2115222 0.84 TSHR (0.45) TSHRSLC18A3HRH3POLBHSD17B10
SCHEMBL1814912 0.84 SLC18A3 (0.39) SLC18A3SIGMAR1POLBHSD17B10OPRM1
SCHEMBL2116623 0.83 LMNA (0.37) TSHRHRH3SIGMAR1POLBHSD17B10
SCHEMBL429615 0.82 TSHR (0.40) TSHRSLC18A3HRH3POLBHSD17B10
SCHEMBL2114984 0.79 GPR119 (0.40) TSHRSLC18A3HRH3OPRM1OPRD1

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 TSHR 146/4885SLC18A3 2608/4885HRH3 1/4885

“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.