SCHEMBL9901232

SCHEMBL9901232

CC(C)(C)OC(=O)n1cc(I)c2cc(C(=O)O)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 2/20 0.40
HCAR3 P49019 2/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2C Q14957 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
ACHE P22303 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CNR2 P34972 1/20 0.35
PIM1 P11309 1/20 0.35
MARK3 P27448 1/20 0.35
MAP4K2 Q12851 1/20 0.35
CAMK2B Q13554 1/20 0.35

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
SCHEMBL9904834 0.88 HTR6 (0.44) HTR6L3MBTL1KDM4EGABRG2GABRB3
SCHEMBL9904372 0.87 HTR6 (0.43) HTR6L3MBTL1KDM4EGABRG2GABRB3
SCHEMBL12615032 0.83 HTR6 (0.46) HTR6L3MBTL1GABRG2GABRB3GABRA5
SCHEMBL16972300 0.83 HTR6 (0.46) HTR6L3MBTL1KDM4EGABRG2GABRB3
SCHEMBL30407382 0.83 HTR6 (0.46) HTR6L3MBTL1KDM4EGABRG2GABRB3
SCHEMBL24067403 0.83 HTR6 (0.46) HTR6L3MBTL1GABRG2GABRB3GABRA5
SCHEMBL18548471 0.82 HTR6 (0.43) HTR6L3MBTL1KDM4EHCAR3ALDH1A1
SCHEMBL31370727 0.82 L3MBTL1 (0.45) HTR6L3MBTL1GABRG2GABRB3GABRA5
SCHEMBL29942639 0.82 AKR1C3 (0.47) HTR6L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL14304582 0.82 AKR1C3 (0.47) HTR6L3MBTL1KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9090593-B2 Bicyclic compounds as Pim inhibitors AMGEN INC. (US) 2015-07-28 US disclosed
EP-2796456-A1 Bicyclic compounds as Pim inhibitors Amgen Inc. (US) 2014-10-29 EP disclosed
US-20140031360-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2014-01-30 US disclosed
EP-2649065-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS Amgen Inc. (US) 2013-10-16 EP disclosed
WO-2012078777-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-06-14 WO 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-20140031360-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS PIM1, PIM2, PIM3 HTR6 4372/4885L3MBTL1 1581/4885KDM4E 539/4885

“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.