SCHEMBL2610396

SCHEMBL2610396

Cc1cc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cnc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.35
USP30 Q70CQ3 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
SSTR4 P31391 1/20 0.33
SOS1 Q07889 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRA6 Q16445 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PDPK1 O15530 1/20 0.31
SYK P43405 1/20 0.31
F2 P00734 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
SCHEMBL2610397 0.80 HDAC1 (0.33) BACE1HDAC1HDAC8HDAC6SSTR4
SCHEMBL17512484 0.77 HDAC1 (0.32) BACE1USP30HDAC1HDAC8HDAC6
SCHEMBL30799546 0.77 SOS1 (0.36) BACE1USP30HDAC1HDAC8HDAC6
SCHEMBL17512481 0.75 SYK (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29206179 0.75 ALDH1A1 (0.37) USP30ALDH1A1PDPK1SYK
SCHEMBL30332314 0.75 ALDH1A1 (0.37) USP30ALDH1A1PDPK1SYK
SCHEMBL15932924 0.74 HCAR2 (0.43) USP30SOS1ALDH1A1PDPK1SYK
SCHEMBL27432514 0.74 GABRA1 (0.39) HDAC1HDAC6GABRA1GABRG2GABRB3
SCHEMBL2034907 0.74 HDAC1 (0.37) USP30HDAC1HDAC6SSTR4SOS1
SCHEMBL16638904 0.73 SYK (0.36) BACE1USP30HDAC1HDAC8HDAC6

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 BACE1 586/4885USP30 3841/4885HDAC1 813/4885

“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.