SCHEMBL848797

SCHEMBL848797

CC1(C)OCC(Cn2ccc3c(Br)c(F)ccc32)O1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TMEM97 Q5BJF2 2/20 0.36
SIGMAR1 Q99720 2/20 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
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
GRIN2B Q13224 2/20 0.34
HTR2A P28223 3/20 0.32
HTR2C P28335 3/20 0.32

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
SCHEMBL848796 1.00 ALDH1A1 (0.41) ALDH1A1NPSR1KDM4EHPGDTSHR
SCHEMBL850933 0.81 ALDH1A1 (0.43) ALDH1A1NPSR1KDM4EHPGDTSHR
SCHEMBL850932 0.81 ALDH1A1 (0.43) ALDH1A1NPSR1KDM4EHPGDTSHR
SCHEMBL849259 0.76 HTR2A (0.45) ALDH1A1NPSR1KDM4EHPGDTSHR
SCHEMBL849258 0.76 HTR2A (0.45) ALDH1A1NPSR1KDM4EHPGDTSHR
SCHEMBL850681 0.73 ALDH1A1 (0.43) ALDH1A1NPSR1KDM4EHPGDTSHR
SCHEMBL850680 0.73 ALDH1A1 (0.43) ALDH1A1NPSR1KDM4EHPGDTSHR
SCHEMBL25430295 0.72 ALDH1A1 (0.45) ALDH1A1NPSR1KDM4EHPGDTSHR
SCHEMBL3016774 0.72 ALDH1A1 (0.46) ALDH1A1NPSR1TSHRTMEM97SIGMAR1
SCHEMBL6829321 0.71 ALDH1A1 (0.43) ALDH1A1NPSR1KDM4EHPGDTSHR

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 7 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-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
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
EP-2433940-A1 SPIROIMIDAZOLONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-03-28 EP 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 ALDH1A1 836/4885NPSR1 195/4885KDM4E 2949/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 ALDH1A1 836/4885NPSR1 195/4885KDM4E 2949/4885

“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.