SCHEMBL847718

SCHEMBL847718

CN(C)C(=O)NCCc1ccc(Br)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.52
CNR1 P21554 1/20 0.50
FPR2 P25090 1/20 0.50
PLAAT3 P53816 1/20 0.49
PLAAT5 Q96KN8 1/20 0.49
PLAAT2 Q9NWW9 1/20 0.49
PLAAT4 Q9UL19 1/20 0.49
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
KDM4E B2RXH2 1/20 0.46
F13A1 P00488 1/20 0.46
POLB P06746 2/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
MGLL Q99685 1/20 0.44
GRK2 P25098 1/20 0.44

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
SCHEMBL16290474 0.83 CYP1A2 (0.61) TAAR1CNR1PLAAT3PLAAT5PLAAT2
SCHEMBL14106337 0.82 CA12 (0.58) TAAR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL553085 0.80 KDM4E (0.70) TAAR1CNR1FPR2PLAAT3PLAAT5
SCHEMBL25303812 0.80 CNR1 (0.66) TAAR1CNR1FPR2PLAAT3PLAAT5
SCHEMBL250873 0.78 PLAAT3 (0.58) TAAR1CNR1FPR2PLAAT3PLAAT5
SCHEMBL1864778 0.77 ACACB (0.56) TAAR1
SCHEMBL2021427 0.77 FPR2 (0.58) TAAR1CNR1FPR2PLAAT3PLAAT5
SCHEMBL5840627 0.77 CNR1 (0.54) TAAR1CNR1FPR2PLAAT3PLAAT5
SCHEMBL5840621 0.77 CNR1 (0.54) TAAR1CNR1FPR2PLAAT3PLAAT5
SCHEMBL157397 0.76 CNR1 (0.57) TAAR1CNR1FPR2PLAAT3PLAAT5

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 11 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
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
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
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 TAAR1 1101/4885CNR1 973/4885FPR2 3235/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 TAAR1 1101/4885CNR1 973/4885FPR2 3235/4885

“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.