SCHEMBL849258

SCHEMBL849258

CC1(C)OC[C@H](Cn2ccc3cc(Br)ccc32)O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTR7 P34969 2/20 0.42
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KRAS P01116 7/20 0.39
MAPT P10636 1/20 0.39
TMEM97 Q5BJF2 2/20 0.37
SIGMAR1 Q99720 2/20 0.37
NTSR1 P30989 1/20 0.36
PLK4 O00444 1/20 0.35
FLT4 P35916 1/20 0.35
KDR P35968 1/20 0.35
TEK Q02763 1/20 0.35
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 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
SCHEMBL849259 1.00 HTR2A (0.45) HTR2AHTR2CALDH1A1NPSR1HTR7
SCHEMBL6829318 0.85 ALDH1A1 (0.43) HTR2AHTR2CALDH1A1NPSR1KDM4E
SCHEMBL30083347 0.85 ALDH1A1 (0.43) HTR2AHTR2CALDH1A1NPSR1KDM4E
SCHEMBL6829321 0.85 ALDH1A1 (0.43) HTR2AHTR2CALDH1A1NPSR1KDM4E
SCHEMBL3016774 0.82 ALDH1A1 (0.46) HTR2AHTR2CALDH1A1NPSR1TSHR
SCHEMBL25430295 0.81 ALDH1A1 (0.45) ALDH1A1NPSR1KDM4EHPGDTSHR
SCHEMBL848796 0.76 ALDH1A1 (0.41) HTR2AHTR2CALDH1A1NPSR1KDM4E
SCHEMBL848797 0.76 ALDH1A1 (0.41) HTR2AHTR2CALDH1A1NPSR1KDM4E
SCHEMBL850932 0.75 ALDH1A1 (0.43) HTR2AHTR2CALDH1A1NPSR1KDM4E
SCHEMBL850933 0.75 ALDH1A1 (0.43) HTR2AHTR2CALDH1A1NPSR1KDM4E

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 18 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
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
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 HTR2A 2283/4885HTR2C 1039/4885ALDH1A1 836/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 HTR2A 2283/4885HTR2C 1039/4885ALDH1A1 836/4885

“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.