SCHEMBL4498587

SCHEMBL4498587

O=c1oc2cc(N3CCN(CCCO)CC3)ccc2cc1-c1nc2ccccc2s1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.57
PIK3CB P42338 1/20 0.57
ALK Q9UM73 2/20 0.53
DRD2 P14416 11/20 0.45
HTR1A P08908 9/20 0.45
DRD3 P35462 9/20 0.45
DRD4 P21917 2/20 0.45
SLC6A4 P31645 10/20 0.44
HTR2A P28223 10/20 0.44
HTR7 P34969 9/20 0.44
HTR2C P28335 5/20 0.44
HRH1 P35367 4/20 0.44
SLC6A3 Q01959 1/20 0.44
DRD1 P21728 2/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL4506508 0.95 PIK3CD (0.59) PIK3CDPIK3CBALKDRD2HTR1A
SCHEMBL5250208 0.91 PIK3CD (0.55) PIK3CDPIK3CBALKDRD2HTR1A
SCHEMBL4503114 0.89 PIK3CD (0.57) PIK3CDPIK3CBALKDRD2HTR1A
SCHEMBL4505982 0.86 PIK3CD (0.62) PIK3CDPIK3CBALKPOLB
SCHEMBL16674768 0.84 PIK3CD (0.64) PIK3CDPIK3CBALK
SCHEMBL4505188 0.83 PIK3CD (0.63) PIK3CDPIK3CBALK
SCHEMBL4499425 0.83 ALK (0.49) PIK3CDPIK3CBALKDRD2HTR1A
SCHEMBL15068911 0.83 PIK3CD (0.58) PIK3CDPIK3CBALK
Hydrochloric Acid SCHEMBL15069133 0.82 PIK3CD (0.62) PIK3CDPIK3CBALK
SCHEMBL15069039 0.81 PIK3CD (0.59) PIK3CDPIK3CBALKPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE47689-E1 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2019-11-05 US disclosed
EP-2797592-B1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS INC (US) 2019-08-28 EP disclosed
US-9617268-B2 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2017-04-11 US disclosed
WO-2015095449-A1 METHODS FOR MODULATING THE AMOUNT RNA TRANSCRIPTS PTC THERAPEUTICS, INC. (US) 2015-06-25 WO disclosed
US-20150119380-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY F. HOFFMANN-LA ROCHE AG (CH) 2015-04-30 US disclosed
EP-2797592-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC Therapeutics, Inc. (US) 2014-11-05 EP disclosed
WO-2013101974-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. (US) 2013-07-04 WO disclosed
US-7569337-B2 Labeling brain tissues in vivo or in vitro; 3-Benzothiazol-2-yl-7-[4-(2-fluoro-ethyl)-piperazin-1-yl]-chromen-2-one; diagnosis, monitoring the effectiveness of a therapeutic treatment and detecting histopathological hallmarks of Alzheimer's disease NOVARTIS AG (CH) 2009-08-04 US disclosed
EP-1483262-B1 COUMARINES USEFUL AS BIOMARKERS NOVARTIS AG (CH) 2007-11-14 EP disclosed
US-20050169837-A1 Coumarines useful as biomarkers NOVARTIS AG (CH) 2005-08-04 US disclosed
EP-1483262-A1 COUMARINES USEFUL AS BIOMARKERS Novartis AG (CH) 2004-12-08 EP disclosed
WO-2003074519-A1 COUMARINES USEFUL AS BIOMARKERS NOVARTIS AG (CH) 2003-09-12 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-20050169837-A1 Coumarines useful as biomarkers CCNB1, CBR1, CYP1A1 PIK3CD 4159/4885PIK3CB 2934/4885ALK 4394/4885
US-20150119380-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, RBM17, RBM22 PIK3CD 3763/4885PIK3CB 3181/4885ALK 4482/4885

“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.