SCHEMBL2117197

SCHEMBL2117197

COCCc1nc(C)ncc1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
MAPK1 P28482 2/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
STAT3 P40763 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LIPE Q05469 1/20 0.41
HTR1A P08908 3/20 0.40
ADRA1D P25100 2/20 0.40
ADRA1A P35348 2/20 0.40
ADRA1B P35368 2/20 0.40
LMNA P02545 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39

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
SCHEMBL2116656 0.87 L3MBTL1 (0.47) L3MBTL1MAPK1MAPTTDP1STAT3
SCHEMBL2610404 0.86 L3MBTL1 (0.46) L3MBTL1MAPK1MAPTTDP1STAT3
SCHEMBL21040513 0.78 L3MBTL1 (0.50) L3MBTL1MAPK1MAPTTDP1STAT3
SCHEMBL2116065 0.77 HTT (0.58) L3MBTL1MAPK1MAPTTDP1STAT3
SCHEMBL6639288 0.76 L3MBTL1 (0.51) L3MBTL1MAPK1MAPTTDP1STAT3
SCHEMBL30839874 0.76 L3MBTL1 (0.51) L3MBTL1MAPK1MAPTTDP1STAT3
SCHEMBL31499771 0.74 EDNRA (0.48) L3MBTL1MAPK1MAPTTDP1STAT3
SCHEMBL10252335 0.71 HTR1A (0.69) L3MBTL1MAPK1MAPTTDP1HTR1A
SCHEMBL6646271 0.71 BRD4 (0.42) L3MBTL1MAPK1MAPTTDP1STAT3
SCHEMBL2116545 0.71 LMNA (0.40) LMNATSHRALDH1A1

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 10 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
CN-103153963-B Cyclopropane compounds EISAI R&D MAN CO LTD 2014-12-24 CN disclosed
EP-2626350-A1 CYCLOPROPANE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2013-08-14 EP disclosed
EP-2626350-A1 CYCLOPROPANE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2013-08-14 EP disclosed
CN-103153963-A Cyclopropane compounds EISAI R&D MAN CO LTD 2013-06-12 CN 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

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 L3MBTL1 1292/4885MAPK1 1433/4885MAPT 2476/4885

“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.