SCHEMBL848035

SCHEMBL848035

Cc1cc(C(=O)N2CCC(O)CC2)cc(C)c1Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.51
ALDH1A1 P00352 3/20 0.51
TP53 P04637 2/20 0.51
HSP90AA1 P07900 1/20 0.49
HSP90AB1 P08238 1/20 0.49
GRM5 P41594 1/20 0.46
GRM3 Q14832 1/20 0.45
TSHR P16473 2/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
LRRK2 Q5S007 1/20 0.42
CYP46A1 Q9Y6A2 1/20 0.42
CNR2 P34972 1/20 0.42
POLB P06746 1/20 0.42
L3MBTL3 Q96JM7 2/20 0.41
ACHE P22303 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
NAMPT P43490 1/20 0.40

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
SCHEMBL847720 0.83 PDK2 (0.48) HPGDALDH1A1TP53HSP90AA1HSP90AB1
SCHEMBL850574 0.83 HSP90AA1 (0.59) HPGDALDH1A1TP53HSP90AA1HSP90AB1
SCHEMBL15651212 0.80 ALDH1A1 (0.58) HPGDALDH1A1TP53HSP90AA1HSP90AB1
SCHEMBL12217952 0.78 HSP90AA1 (0.68) HPGDALDH1A1TP53HSP90AA1HSP90AB1
SCHEMBL16104776 0.78 ALDH1A1 (0.46) HPGDALDH1A1TP53HSP90AA1HSP90AB1
SCHEMBL850239 0.76 GRM3 (0.46) HPGDALDH1A1TP53GRM3TSHR
SCHEMBL16302501 0.76 ALDH1A1 (0.44) HPGDALDH1A1TP53HSP90AA1HSP90AB1
SCHEMBL12074789 0.75 KMT2A (0.71) HPGDALDH1A1HSP90AA1HSP90AB1GRM5
SCHEMBL5880849 0.75 HPGD (0.68) HPGDHSP90AA1HSP90AB1GRM5GRM3
SCHEMBL24956916 0.74 ALDH1A1 (0.40) HPGDALDH1A1TP53TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-01-21 US disclosed
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-01-21 US disclosed
EP-2433940-B9 SPIROIMIDAZOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2015-10-28 EP disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
EP-2433940-B1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2014-09-24 EP disclosed
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-25 US disclosed
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-25 US disclosed
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-25 US disclosed
EP-2433940-A1 SPIROIMIDAZOLONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-03-28 EP disclosed
EP-2433940-A1 SPIROIMIDAZOLONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-03-28 EP disclosed
WO-2010126030-A1 SPIROIMIDAZOLONE DERIVATIVE 中外製薬株式会社 (JP) 2010-11-04 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 (2 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-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 HPGD 2068/4885ALDH1A1 836/4885TP53 3159/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 HPGD 2068/4885ALDH1A1 836/4885TP53 3159/4885

“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.