SCHEMBL2116548

SCHEMBL2116548

CCc1ncc(OCc2ccccc2)c(C)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
STAT3 P40763 2/20 0.54
L3MBTL1 Q9Y468 3/20 0.49
MAPT P10636 3/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ATP4A P20648 2/20 0.44
ATP4B P51164 2/20 0.44
AOC3 Q16853 1/20 0.43
LMNA P02545 4/20 0.43
BRD4 O60885 2/20 0.43
POLB P06746 1/20 0.43
LIPE Q05469 1/20 0.41
CYP1A2 P05177 2/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL2116065 0.82 HTT (0.58) HTTSMN1; SMN2STAT3L3MBTL1MAPT
SCHEMBL2116857 0.79 HTT (0.55) HTTSMN1; SMN2STAT3L3MBTL1MAPT
SCHEMBL2117955 0.78 HTT (0.54) HTTSMN1; SMN2STAT3L3MBTL1MAPT
SCHEMBL10371116 0.77 HTT (0.56) HTTSMN1; SMN2STAT3L3MBTL1MAPT
SCHEMBL6244123 0.76 HTT (0.55) HTTSMN1; SMN2STAT3L3MBTL1MAPT
SCHEMBL24975433 0.76 HTT (0.51) HTTSMN1; SMN2STAT3L3MBTL1MAPT
SCHEMBL16491623 0.73 HTT (0.59) HTTSMN1; SMN2STAT3L3MBTL1MAPT
SCHEMBL3947830 0.72 SMN1; SMN2 (0.58) HTTSMN1; SMN2STAT3L3MBTL1MAPT
SCHEMBL26534330 0.72 L3MBTL1 (0.53) HTTSMN1; SMN2STAT3L3MBTL1MAPT
SCHEMBL26971403 0.72 CYP1A2 (0.57) HTTSMN1; SMN2STAT3L3MBTL1MAPT

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 11 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
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-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 HTT 939/4885SMN1; SMN2 3812/4885STAT3 1140/4885

“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.