SCHEMBL879838

SCHEMBL879838

CCCCOCCNc1cc(C)c(Br)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.36
ABL1 P00519 1/20 0.35
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ADRA2A P08913 1/20 0.33
ABCB11 O95342 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADRA2B P18089 1/20 0.33
OPRD1 P41143 1/20 0.33
SCN5A Q14524 1/20 0.33
GAA P10253 2/20 0.32
MAPT P10636 1/20 0.32
RECQL P46063 1/20 0.31
NPC1 O15118 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL16104670 0.84 TSHR (0.36) TSHRLMNAPOLBALDH1A1HPGD
SCHEMBL16104683 0.83 TSHR (0.35) TSHRLMNAPOLBALDH1A1HPGD
SCHEMBL849929 0.82 KCNH3 (0.40) TSHRLMNAALDH1A1KDM4EHPGD
SCHEMBL11669127 0.80 SKP2 (0.44) TSHRABL1LMNAPOLBALDH1A1
SCHEMBL13552299 0.79 TRPA1 (0.36) ABL1LMNAALDH1A1ADRA2ACYP3A4
SCHEMBL849709 0.78 LMNA (0.38) LMNAALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL8631825 0.77 TSHR (0.40) TSHRABL1LMNAPOLBALDH1A1
SCHEMBL849334 0.74 TSHR (0.40) TSHRLMNAALDH1A1SMN1; SMN2
SCHEMBL9157933 0.73 ALDH1A1 (0.52) TSHRLMNAALDH1A1KDM4EHPGD
SCHEMBL11792508 0.71 ABL1 (0.47) TSHRABL1LMNAALDH1A1KDM4E

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
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
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 (1 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 TSHR 914/4885ABL1 461/4885LMNA 2006/4885

“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.