SCHEMBL13552003

SCHEMBL13552003

Cc1c(Br)cccc1OCCC1COC(C)(C)O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ADRA1D P25100 8/20 0.36
HTR1A P08908 7/20 0.36
ADRA1A P35348 7/20 0.36
ADRA1B P35368 7/20 0.36
MAPK14 Q16539 2/20 0.35
HTR1B P28222 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL15077477 0.79 ALDH1A1 (0.38) ALDH1A1NPSR1ADRA1DHTR1AADRA1A
SCHEMBL12943469 0.77 ALDH1A1 (0.34) ALDH1A1NPSR1ADRA1DHTR1AADRA1A
SCHEMBL1133830 0.76 ALDH1A1 (0.50) ALDH1A1ADRA1DHTR1AADRA1AADRA1B
SCHEMBL13064749 0.76 MAPK14 (0.44) ALDH1A1NPSR1MAPK14SMN1; SMN2KDM4E
SCHEMBL929292 0.76 MAPK14 (0.35) ALDH1A1NPSR1ADRA1DHTR1AADRA1A
SCHEMBL16357741 0.75 HCRTR2 (0.38) ALDH1A1NPSR1ADRA1DHTR1AADRA1A
SCHEMBL13551968 0.75 MAPK14 (0.34) ALDH1A1NPSR1MAPK14HCRTR2TMEM97
SCHEMBL3869457 0.75 ALDH1A1 (0.45) ALDH1A1MAPK14SMN1; SMN2KDM4EMEN1
SCHEMBL711737 0.75 ALDH1A1 (0.36) ALDH1A1NPSR1ADRA1DHTR1AADRA1A
SCHEMBL7964858 0.74 ADRA1B (0.49) ADRA1DHTR1AADRA1AADRA1BMAPK14

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-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-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-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

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 195/4885ADRA1D 93/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 ALDH1A1 836/4885NPSR1 195/4885ADRA1D 93/4885

“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.