SCHEMBL2262948

SCHEMBL2262948

CC(C)(C)[Si](C)(C)OCCn1ccc2c(Br)cccc21

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DUT P33316 2/20 0.42
▸ HTR2C P28335 4/20 0.35
▸ HTR2A P28223 2/20 0.31
▸ GRM2 Q14416 1/20 0.31
▸ CCR4 P51679 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ NFKB1 P19838 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ NFKB2 Q00653 1/20 0.30
▸ RELA Q04206 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL2263579 0.92 DUT (0.52) DUTHTR2CNPC1MAPTNFKB1
SCHEMBL20348541 0.85 HTR2C (0.46) DUTHTR2CHTR2ACCR4NPC1
SCHEMBL20337987 0.84 HTR2C (0.53) DUTHTR2CHTR2ACCR4
SCHEMBL31370787 0.83 DUT (0.38) DUTMAPT
SCHEMBL29968395 0.81 DUT (0.40) DUT
SCHEMBL21624151 0.81 DUT (0.40) DUT
SCHEMBL23647863 0.80 DUT (0.41) DUTHTR2CHTR2AGRM2
SCHEMBL30005911 0.80 DUT (0.41) DUTHTR2CHTR2AGRM2
SCHEMBL12543864 0.79 HTR2C (0.41) HTR2CHTR2A
SCHEMBL26353200 0.78 DUT (0.34) DUTGRM2NPC1RAB9A

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 13 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-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
EP-2433940-A1 SPIROIMIDAZOLONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-03-28 — — EP disclosed
US-20110294792-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2011-12-01 — — US disclosed
US-8058425-B2 Purine derivatives as kinase inhibitors ELI LILLY AND COMPANY (US) 2011-11-15 — — US disclosed
US-8022065-B2 Purine derivatives as kinase inhibitors ELI LILLY AND COMPANY (US) 2011-09-20 — — US disclosed
US-20110207721-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2011-08-25 — — US disclosed
WO-2010126030-A1 SPIROIMIDAZOLONE DERIVATIVE 中外製薬株式会社 (JP) 2010-11-04 — — WO disclosed
US-20090105229-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY 2009-04-23 — — US disclosed
EP-1483265-B1 PURINE DERIVATIVES AS KINASE INHIBITORS LILLY CO ELI (US) 2006-11-22 — — EP disclosed
EP-1483265-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2004-12-08 — — EP disclosed
WO-2003076442-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-09-18 — — 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 (4 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 DUT 4538/4885HTR2C 1039/4885HTR2A 2283/4885
US-20110294792-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 DUT 239/4885HTR2C 2553/4885HTR2A 2846/4885
US-20110207721-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 DUT 239/4885HTR2C 2553/4885HTR2A 2846/4885
US-20090105229-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 DUT 239/4885HTR2C 2553/4885HTR2A 2846/4885

“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.

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