SCHEMBL2116700

SCHEMBL2116700

COc1ccccc1C1(COc2cnc(C)nc2C)CC1C(=O)O

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 6/20 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
SCHEMBL2610436 0.89 HCRTR1 (0.58) HCRTR1HCRTR2KCNH2
SCHEMBL15177905 0.89 HCRTR1 (0.56) HCRTR1HCRTR2KCNH2
SCHEMBL2610428 0.88 HCRTR1 (0.59) HCRTR1HCRTR2KCNH2
SCHEMBL2117634 0.86 HCRTR1 (0.71) HCRTR1HCRTR2KCNH2
SCHEMBL2119367 0.86 HCRTR1 (0.71) HCRTR1HCRTR2KCNH2
SCHEMBL2610431 0.84 HCRTR1 (0.62) HCRTR1HCRTR2KCNH2
SCHEMBL2610582 0.83 HCRTR1 (0.85) HCRTR1HCRTR2KCNH2
SCHEMBL2118701 0.83 HCRTR1 (0.49) HCRTR1HCRTR2KCNH2
SCHEMBL2610578 0.83 HCRTR1 (0.78) HCRTR1HCRTR2KCNH2
SCHEMBL2116858 0.82 HCRTR1 (0.49) 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 9 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-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
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.