SCHEMBL2610397

SCHEMBL2610397

COCc1cc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cnc1F

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
BACE1 P56817 2/20 0.33
SSTR4 P31391 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
HTR2C P28335 2/20 0.31
SLC6A4 P31645 2/20 0.31
HTR2A P28223 1/20 0.31
PDPK1 O15530 1/20 0.31
P2RX3 P56373 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
SCHEMBL2610396 0.80 BACE1 (0.35) HDAC1HDAC8HDAC6BACE1SSTR4
SCHEMBL17512484 0.72 HDAC1 (0.32) HDAC1HDAC8HDAC6BACE1SSTR4
SCHEMBL23032507 0.72 POLQ (0.38) HDAC1HDAC8HDAC6SSTR4PDPK1
SCHEMBL17512481 0.70 SYK (0.38)
SCHEMBL29206179 0.70 ALDH1A1 (0.37) PDPK1
SCHEMBL30332314 0.70 ALDH1A1 (0.37) PDPK1
SCHEMBL30799546 0.69 SOS1 (0.36) HDAC1HDAC8HDAC6BACE1SSTR4
SCHEMBL25324214 0.68 ATR (0.37) PDPK1
SCHEMBL23032506 0.68 MEN1 (0.38) HDAC1HDAC8HDAC6BACE1
SCHEMBL25262847 0.68 SOS1 (0.37) HDAC1HDAC8HDAC6BACE1SSTR4

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 HDAC1 813/4885HDAC8 1595/4885HDAC6 1396/4885

“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.