SCHEMBL2610422

SCHEMBL2610422

COCOC[C@@]1(c2ccccc2)C[C@H]1C=O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.34
HCRTR2 O43614 7/20 0.33
HCRTR1 O43613 5/20 0.32
KCNH2 Q12809 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
LMNA P02545 1/20 0.30
DPP4 P27487 1/20 0.30

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
SCHEMBL2610424 0.77 HCRTR2 (0.46) HCRTR2HCRTR1
SCHEMBL2610423 0.76 HCRTR2 (0.45) HCRTR2HCRTR1
SCHEMBL2117104 0.75 HCRTR2 (0.39) MAOBHCRTR2HCRTR1SLC6A2SLC6A4
SCHEMBL15177909 0.75 HCRTR2 (0.37) MAOBHCRTR2HCRTR1SLC6A2SLC6A4
SCHEMBL9950661 0.73 HCRTR2 (0.64) HCRTR2HCRTR1
SCHEMBL10188722 0.70 HCRTR2 (0.56) HCRTR2HCRTR1KCNH2LMNA
SCHEMBL2118887 0.70 HCRTR1 (0.57) HCRTR2HCRTR1KCNH2
SCHEMBL9950968 0.69 HCRTR2 (0.41) HCRTR2HCRTR1KCNH2
SCHEMBL4025554 0.69 SLC6A2 (0.39) MAOBSLC6A2SLC6A4
SCHEMBL4024571 0.69 SLC6A2 (0.39) MAOBSLC6A2SLC6A4

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
EP-2626350-B1 CYCLOPROPANE COMPOUND EISAI R&D MAN CO LTD (JP) 2015-04-15 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 MAOB 344/4885HCRTR2 2/4885HCRTR1 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.