SCHEMBL850274

SCHEMBL850274

Cc1cc(NC[C@H]2COC(C)(C)O2)cc(C)c1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ NAMPT P43490 3/20 0.35
▸ HCRTR2 O43614 6/20 0.34
▸ HCRTR1 O43613 5/20 0.34
▸ BUB1 O43683 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ TMEM97 Q5BJF2 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ P2RX3 P56373 1/20 0.30
▸ MAPK14 Q16539 2/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ PKM P14618 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
SCHEMBL850275 1.00 CA2 (0.43) CA2ALDH1A1NPSR1NAMPTHCRTR2
SCHEMBL16104772 0.85 CA2 (0.43) CA2ALDH1A1NPSR1NAMPTHCRTR2
SCHEMBL13555139 0.85 CA2 (0.40) CA2ALDH1A1NPSR1NAMPTHCRTR2
SCHEMBL849701 0.73 CA2 (0.43) CA2ALDH1A1NPSR1TSHRMAPK14
SCHEMBL849700 0.73 CA2 (0.43) CA2ALDH1A1NPSR1TSHRMAPK14
SCHEMBL23750730 0.72 CA2 (0.40) CA2HCRTR2HCRTR1BUB1MAPK14
SCHEMBL23750637 0.72 CA2 (0.40) CA2HCRTR2HCRTR1BUB1MAPK14
SCHEMBL16637599 0.71 MAPK14 (0.39) CA2ALDH1A1NPSR1KDM4EHPGD
SCHEMBL17925137 0.71 MAPK14 (0.39) CA2ALDH1A1NPSR1KDM4EHPGD
SCHEMBL11976713 0.71 CA2 (0.44) CA2ALDH1A1NPSR1NAMPTHCRTR2

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 15 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
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 CA2 921/4885ALDH1A1 836/4885NPSR1 195/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 CA2 921/4885ALDH1A1 836/4885NPSR1 195/4885

“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.

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