SCHEMBL2118539

SCHEMBL2118539

COc1ncc(N(C)C[C@@]2(c3ccccc3)C[C@H]2C(=O)O)c(OC)n1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 16/20 0.38
HCRTR1 O43613 14/20 0.38
LTC4S Q16873 4/20 0.35

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
SCHEMBL2610474 0.79 HCRTR1 (0.46) HCRTR2HCRTR1
SCHEMBL2610426 0.74 HCRTR2 (0.57) HCRTR2HCRTR1
SCHEMBL15177948 0.69 HCRTR1 (0.44) HCRTR2HCRTR1
SCHEMBL15161959 0.69 HCRTR1 (0.51) HCRTR2HCRTR1
SCHEMBL2116844 0.69 HCRTR1 (0.51) HCRTR2HCRTR1
SCHEMBL15161960 0.69 HCRTR1 (0.51) HCRTR2HCRTR1
SCHEMBL10188768 0.66 HCRTR2 (0.65) HCRTR2HCRTR1
SCHEMBL10188729 0.66 HCRTR2 (0.67) HCRTR2HCRTR1
SCHEMBL10188815 0.65 HCRTR2 (0.36) HCRTR2HCRTR1
SCHEMBL23357092 0.65 MAOB (0.41) HCRTR2HCRTR1

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 HCRTR2 2/4885HCRTR1 1/4885LTC4S 2625/4885

“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.