SCHEMBL1586934

SCHEMBL1586934

CC1NCCN(CCCC(=O)OC(C)(C)C)C1=O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 2/20 0.39
PLA2G5 P39877 2/20 0.39
DDB1 Q16531 2/20 0.33
CRBN Q96SW2 2/20 0.33
ELANE P08246 2/20 0.33
EPHX2 P34913 1/20 0.32
ATM Q13315 1/20 0.32
HTR4 Q13639 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL1554996 1.00 PLA2G10 (0.39) PLA2G10PLA2G5DDB1CRBNELANE
SCHEMBL1555754 0.92 PLA2G10 (0.40) PLA2G10PLA2G5DDB1CRBNELANE
SCHEMBL1556365 0.92 PLA2G10 (0.40) PLA2G10PLA2G5DDB1CRBNELANE
SCHEMBL28055093 0.85 PLA2G10 (0.42) PLA2G10PLA2G5ATM
SCHEMBL28055137 0.82 PLA2G10 (0.42) PLA2G10PLA2G5
SCHEMBL27894045 0.78 PLA2G10 (0.43) PLA2G10PLA2G5ELANEATM
SCHEMBL26427961 0.78 PLA2G10 (0.33) PLA2G10PLA2G5DDB1CRBNATM
SCHEMBL1344018 0.76 ATM (0.38) ATM
SCHEMBL1344021 0.76 ATM (0.38) ATM
SCHEMBL1344136 0.76 ATM (0.38) ATM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2491022-B1 DIAZEPAN DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS HOFFMANN LA ROCHE (CH) 2014-12-31 EP disclosed
US-8445674-B2 Heterocyclyl compounds Hoffmann-La Roche Inc (US) 2013-05-21 US disclosed
US-20110092698-A1 NOVEL HETEROCYCLYL COMPOUNDS F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2011-04-21 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-20110092698-A1 NOVEL HETEROCYCLYL COMPOUNDS CCR2, CCR3, CCR1 PLA2G10 1675/4885PLA2G5 1867/4885DDB1 3114/4885

“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.