SCHEMBL2610437

SCHEMBL2610437

COc1ccc(C2(COc3cnc(C)nc3C)CC2C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.59
HCRTR2 O43614 20/20 0.59
KCNH2 Q12809 5/20 0.59

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
SCHEMBL2610434 0.90 HCRTR1 (0.67) HCRTR1HCRTR2KCNH2
SCHEMBL2610430 0.89 HCRTR1 (0.68) HCRTR1HCRTR2KCNH2
SCHEMBL2119367 0.89 HCRTR1 (0.71) HCRTR1HCRTR2KCNH2
SCHEMBL2117634 0.89 HCRTR1 (0.71) HCRTR1HCRTR2KCNH2
SCHEMBL2118446 0.88 HCRTR1 (0.74) HCRTR1HCRTR2KCNH2
SCHEMBL2120719 0.88 HCRTR1 (0.74) HCRTR1HCRTR2KCNH2
SCHEMBL2610438 0.88 HCRTR1 (0.59) HCRTR1HCRTR2KCNH2
SCHEMBL2610449 0.85 HCRTR1 (0.62) HCRTR1HCRTR2KCNH2
SCHEMBL2610450 0.85 HCRTR1 (0.66) HCRTR1HCRTR2KCNH2
SCHEMBL2610433 0.83 HCRTR1 (0.73) HCRTR1HCRTR2KCNH2

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
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 HCRTR1 1/4885HCRTR2 2/4885KCNH2 369/4885

“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.