SCHEMBL848718

SCHEMBL848718

CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Br)c(F)ccc21.CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(F)ccc21

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.39
HTR2A P28223 3/20 0.39
MAPT P10636 1/20 0.31
KCNH2 Q12809 1/20 0.31
TRPV3 Q8NET8 1/20 0.31
PPARG P37231 2/20 0.31
PDK1 Q15118 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30

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
SCHEMBL13552249 0.88 HTR2A (0.33) HTR2CHTR2A
SCHEMBL850727 0.85 HTR2C (0.50) HTR2CHTR2AMAPTKCNH2SLC6A2
SCHEMBL413823 0.73 HTR2A (0.50) HTR2CHTR2ASLC6A2SLC6A4
SCHEMBL29958009 0.73 HTR2C (0.50) HTR2CHTR2AMAPTSLC6A2SLC6A4
SCHEMBL30967900 0.73 HTR2A (0.50) HTR2CHTR2ASLC6A2SLC6A4
SCHEMBL12544395 0.73 HTR2C (0.50) HTR2CHTR2AMAPTSLC6A2SLC6A4
SCHEMBL20855245 0.73 HTR2A (0.30) HTR2CHTR2A
SCHEMBL30593763 0.73 SLC6A2 (0.30) SLC6A2SLC6A4
SCHEMBL20855264 0.73 SLC6A2 (0.30) SLC6A2SLC6A4
SCHEMBL19617761 0.72

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 HTR2C 1039/4885HTR2A 2283/4885MAPT 3000/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 HTR2C 1039/4885HTR2A 2283/4885MAPT 3000/4885

“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.