SCHEMBL2116829

SCHEMBL2116829

COCn1c(C)nc(C)c(O)c1=O

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 1/20 0.33
KDM4E B2RXH2 2/20 0.31
HSD17B10 Q99714 2/20 0.31
BRD4 O60885 1/20 0.31
ALDH1A1 P00352 2/20 0.31
USP2 O75604 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL2610718 0.79 ADORA2B (0.33) ADORA2BKDM4EHSD17B10BRD4ALDH1A1
SCHEMBL8060358 0.76 TSHR (0.42) KDM4EHSD17B10ALDH1A1CYP1A2CYP2C9
SCHEMBL15177937 0.76 ADORA2B (0.31) ADORA2B
SCHEMBL9733254 0.69 ADORA2B (0.33) ADORA2BHSD17B10ALDH1A1USP2CYP1A2
SCHEMBL17783702 0.63 ADORA2B (0.36) ADORA2BALDH1A1
SCHEMBL13383886 0.61 ADORA2B (0.40) ADORA2BKDM4EHSD17B10ALDH1A1CYP3A4
SCHEMBL14591115 0.58 ADORA2B (0.35) ADORA2B
SCHEMBL27837234 0.57 MEN1 (0.33) ALDH1A1
SCHEMBL14112924 0.55 KDM4E (0.32) KDM4EHSD17B10
SCHEMBL19094969 0.55 ADORA2B (0.47) ADORA2BALDH1A1CYP1A2CYP3A4CYP2C19

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 12 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-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 ADORA2B 419/4885KDM4E 1932/4885HSD17B10 2025/4885

“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.