SCHEMBL2117103

SCHEMBL2117103

COC(OC)[C@@]1(c2ccccc2)C[C@H]1CO

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 2/20 0.36
PTGS2 P35354 1/20 0.34
OPRM1 P35372 4/20 0.33
OPRK1 P41145 4/20 0.33
MAPT P10636 2/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
OPRD1 P41143 3/20 0.33
SIGMAR1 Q99720 1/20 0.33
DPP4 P27487 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
SCHEMBL16628756 0.74 MEN1 (0.37) SLC6A2SLC6A4
SCHEMBL12150085 0.74 MEN1 (0.37) SLC6A2SLC6A4
SCHEMBL2119148 0.72 HTT (0.44) SLC6A2SLC6A4OPRM1OPRK1MAPT
SCHEMBL6172866 0.71 SLC6A2 (0.36) SLC6A2SLC6A4HTR2C
SCHEMBL20747663 0.67 PTGS2 (0.41) PTGS2HTR2AHTR2CHTR2B
SCHEMBL21834929 0.67 PTGS2 (0.41) PTGS2HTR2AHTR2CHTR2B
SCHEMBL5790811 0.67 SIGMAR1 (0.61) HTR2CSIGMAR1
SCHEMBL9951558 0.66 HTR2A (0.35) PTGS2OPRM1OPRK1MAPTHTR2A
SCHEMBL9951554 0.66 HTR2A (0.35) PTGS2OPRM1OPRK1MAPTHTR2A
SCHEMBL2117104 0.65 HCRTR2 (0.39) SLC6A2SLC6A4PTGS2OPRK1MAPT

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 4 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-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-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 SLC6A2 331/4885SLC6A4 370/4885PTGS2 2258/4885

“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.