SCHEMBL1900476

SCHEMBL1900476

CCc1[c]cccc1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.41
HTR2A P28223 1/20 0.40
CALM1 P0DP23 1/20 0.39
BCL2 P10415 1/20 0.38
BCL2L1 Q07817 1/20 0.38
DRD2 P14416 2/20 0.37
DRD1 P21728 2/20 0.37
DRD3 P35462 1/20 0.37
HRH1 P35367 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
ALOX5 P09917 1/20 0.34

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
SCHEMBL721135 0.86 CALM1 (0.44) HTR2ACALM1BCL2BCL2L1DRD2
SCHEMBL687988 0.83 LMNA (0.40) TP53HTR2ACALM1BCL2BCL2L1
SCHEMBL28763236 0.81 BCL2 (0.42) HTR2ACALM1BCL2BCL2L1L3MBTL1
SCHEMBL7432943 0.81 L3MBTL1 (0.40) HTR2ACALM1BCL2BCL2L1L3MBTL1
SCHEMBL64051 0.80 GABRA1 (0.41) L3MBTL1
SCHEMBL7687255 0.77 HTR2A (0.37) HTR2ACALM1BCL2BCL2L1CYP1A2
SCHEMBL7453243 0.77 CALM1 (0.42) TP53HTR2ACALM1BCL2BCL2L1
SCHEMBL2410994 0.77 HTR2A (0.42) TP53HTR2ACALM1BCL2BCL2L1
SCHEMBL5150284 0.76 HTT (0.41) TP53DRD2TSHR
SCHEMBL16953556 0.75 GABRA1 (0.37)

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008104756-A1 UREA DERIVATIVES AND THEIR THERAPEUTIC USE SERENTIS LIMITED (GB) 2008-09-04 WO claimed
EP-1252156-B1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS UCL BUSINESS PLC (GB) 2011-05-04 EP disclosed
US-7790761-B2 Blockade of voltage dependent sodium channels UNIVERSITY COLLEGE LONDON (GB) 2010-09-07 US disclosed
WO-2008104756-A1 UREA DERIVATIVES AND THEIR THERAPEUTIC USE SERENTIS LIMITED (GB) 2008-09-04 WO disclosed
US-7253198-B2 Hydroxyethylamine derivatives for the treatment of Alzheimer's disease GLAXO GROUP LIMITED (GB) 2007-08-07 US disclosed
EP-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed
US-20060100248-A1 Blockade of voltage dependent sodium channels GARTHWAITE GITI 2006-05-11 US disclosed
US-7009056-B2 Blockade of voltage dependent sodium channels UNIVERSITY COLLEGE LONDON (GB) 2006-03-07 US disclosed
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-02-02 US disclosed
WO-2005113525-A1 N, N’-SUBSTITUTED-1,3-DIAMINO-2-OXOPROPANE DERIVATIVES, THEIR PHARMACEUTICAL COMPOSITIONS AND USE GLAXO GROUP LIMITED (GB) 2005-12-01 WO disclosed
EP-1567488-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2005-08-31 EP disclosed
WO-2004050619-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2004-06-17 WO disclosed
US-20030171403-A1 Blockade of voltage dependent sodium channels UNIVERSITY COLLEGE LONDON (GB) 2003-09-11 US disclosed
EP-1252156-A1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS University College London (GB) 2002-10-30 EP disclosed
EP-1140900-A4 PYRAZOLE COMPOUNDS AND USES THEREOF PPD DISCOVERY INC (US) 2002-04-10 EP disclosed
EP-1140900-A2 PYRAZOLE COMPOUNDS AND USES THEREOF PPD DISCOVERY, INC. (US) 2001-10-10 EP disclosed
WO-2001057024-A1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS UNIVERSITY COLLEGE LONDON (GB) 2001-08-09 WO disclosed
WO-2000039083-A2 PYRAZOLE COMPOUNDS AND USES THEREOF PPD DISCOVERY, INC. (US) 2000-07-06 WO disclosed
EP-0058740-B1 IMPROVED POLYESTER MOLDING COMPOSITIONS AND MOLDED ARTICLES PRODUCED THEREFROM UNION CARBIDE CORPORATION (US) 1985-05-22 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 (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-20030171403-A1 Blockade of voltage dependent sodium channels CACNA1F, SCNN1B, CACNA1B TP53 4611/4885HTR2A 3268/4885CALM1 952/4885
US-20060100248-A1 Blockade of voltage dependent sodium channels CACNA1I, CACNA1F, CACNA1C TP53 4608/4885HTR2A 3287/4885CALM1 1057/4885
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 TP53 3868/4885HTR2A 48/4885CALM1 1349/4885

“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.