SCHEMBL2117104

SCHEMBL2117104

COCOC[C@@]1(c2ccccc2)C[C@H]1CO

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 5/20 0.39
HCRTR1 O43613 4/20 0.39
OPRK1 P41145 1/20 0.39
SLC6A2 P23975 5/20 0.35
SLC6A4 P31645 4/20 0.35
MAOB P27338 2/20 0.35
PTGS2 P35354 1/20 0.35
MAPT P10636 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
SLC6A3 Q01959 3/20 0.33
CYP2D6 P10635 1/20 0.33
HTR2C P28335 1/20 0.33

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
SCHEMBL15177909 0.82 HCRTR2 (0.37) HCRTR2HCRTR1OPRK1SLC6A2SLC6A4
SCHEMBL2610424 0.78 HCRTR2 (0.46) HCRTR2HCRTR1
SCHEMBL2610423 0.77 HCRTR2 (0.45) HCRTR2HCRTR1
SCHEMBL11086077 0.76 OPRK1 (0.55) OPRK1SLC6A2SLC6A4MAOBPTGS2
SCHEMBL2119239 0.76 OPRK1 (0.55) OPRK1SLC6A2SLC6A4MAOBPTGS2
SCHEMBL9950472 0.76 OPRK1 (0.55) OPRK1SLC6A2SLC6A4MAOBPTGS2
SCHEMBL9951137 0.73 HCRTR2 (0.71) HCRTR2HCRTR1
SCHEMBL13224862 0.73 MAOB (0.59) OPRK1SLC6A2SLC6A4MAOBSLC6A3
SCHEMBL13224863 0.73 MAOB (0.59) OPRK1SLC6A2SLC6A4MAOBSLC6A3
SCHEMBL13224838 0.73 MAOB (0.59) OPRK1SLC6A2SLC6A4MAOBSLC6A3

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2626350-B1 CYCLOPROPANE COMPOUND EISAI R&D MAN CO LTD (JP) 2015-04-15 EP disclosed
EP-2626350-B1 CYCLOPROPANE COMPOUND EISAI R&D MAN CO LTD (JP) 2015-04-15 EP disclosed
EP-2626350-A1 CYCLOPROPANE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2013-08-14 EP disclosed
US-8268848-B2 Cyclopropane compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-09-18 US disclosed
US-8268848-B2 Cyclopropane compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-09-18 US disclosed
US-20120095031-A1 CYCLOPROPANE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-19 US disclosed
US-20120095031-A1 CYCLOPROPANE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-19 US 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-20120095031-A1 CYCLOPROPANE COMPOUND HCRTR1, HCRTR2, CNR1 HCRTR2 2/4885HCRTR1 1/4885OPRK1 95/4885

“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.