SCHEMBL879762

SCHEMBL879762

OCCn1ccc2c(Br)cccc21

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.44
HTR6 P50406 5/20 0.41
CDK4 P11802 3/20 0.37
CCND1 P24385 3/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
ASH1L Q9NR48 2/20 0.36
CNR2 P34972 1/20 0.36
TDO2 P48775 1/20 0.35

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
SCHEMBL849619 0.88 CDK4 (0.43) HTR2CCDK4CCND1CNR2
SCHEMBL28852853 0.84 HTR2C (0.41) HTR2CHTR6CDK4CCND1SLC6A2
SCHEMBL851863 0.82 HTR2C (0.41) HTR2CHTR6CDK4CCND1ASH1L
SCHEMBL16302351 0.81 HTR2C (0.41) HTR2CHTR6CDK4CCND1SLC6A2
SCHEMBL849274 0.81 HTR2C (0.38) HTR2CHTR6CDK4CCND1SLC6A2
SCHEMBL3245076 0.80 HTR2C (0.66) HTR2CHTR6CDK4CCND1ASH1L
SCHEMBL5841409 0.79 CDK4 (0.44) HTR2CCDK4CCND1CNR2
SCHEMBL21359752 0.79 CDK4 (0.41) HTR2CHTR6CDK4CCND1
SCHEMBL30777412 0.79 CDK4 (0.41) HTR2CHTR6CDK4CCND1
SCHEMBL13090966 0.79 HTR2C (0.57) HTR2CHTR6CDK4CCND1SLC6A2

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-10934272-B2 Pyridyl derivatives as bromodomain inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2021-03-02 US disclosed
EP-3440069-B1 PYRIDYL DERIVATIVES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-10-28 EP disclosed
US-20190119248-A1 PYRIDYL DERIVATIVES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2019-04-25 US disclosed
EP-3440069-A1 PYRIDYL DERIVATIVES AS BROMODOMAIN INHIBITORS GlaxoSmithKline Intellectual Property (No. 2) Limited (GB) 2019-02-13 EP disclosed
WO-2017174621-A1 PYRIDYL DERIVATIVES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-10-12 WO disclosed
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-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
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 (3 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 1039/4885HTR6 1419/4885CDK4 536/4885
US-10934272-B2 Pyridyl derivatives as bromodomain inhibitors BRD4, BRD3, BRDT HTR2C 2369/4885HTR6 1452/4885CDK4 113/4885
US-20190119248-A1 PYRIDYL DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRDT HTR2C 2369/4885HTR6 1452/4885CDK4 113/4885

“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.