SCHEMBL2882259

SCHEMBL2882259

CC(C)(C)[Si](C)(C)Oc1cccc(F)c1CBr

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.33
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
KCNH2 Q12809 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30
SGMS2 Q8NHU3 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
SCHEMBL3440636 0.80 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3ALOX5APFEN1
SCHEMBL2500390 0.79 ALDH1A1 (0.39) ALOX5APFEN1
SCHEMBL17621111 0.78 CYP2D6 (0.33) MAPK1SMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL30556213 0.76 CA1 (0.38) DRD2MAPK1SMN1; SMN2ALOX5APFEN1
SCHEMBL14312138 0.76 MAPK1 (0.38) DRD2MAPK1KDM4E
SCHEMBL696401 0.75 L3MBTL1 (0.46) MAPK1SMN1; SMN2KDM4ESLC6A2SLC6A4
SCHEMBL29712485 0.75 L3MBTL1 (0.46) MAPK1SMN1; SMN2KDM4ESLC6A2SLC6A4
SCHEMBL2250394 0.74 ALDH1A1 (0.40) DRD2MAPK1KDM4ESLC6A3
SCHEMBL6938316 0.73 ALOX5AP (0.41) ALOX5APFEN1
SCHEMBL8162621 0.73 ALOX5AP (0.35) KDM4EALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3194382-B1 PYRAZOLE DERIVATIVES AS SGC STIMULATORS CYCLERION THERAPEUTICS INC (US) 2021-09-08 EP disclosed
US-20170291889-A1 PYRAZOLE DERIVATIVES AS SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2017-10-12 US disclosed
US-20170291889-A1 PYRAZOLE DERIVATIVES AS SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2017-10-12 US disclosed
WO-2016044447-A1 PYRAZOLE DERIVATIVES AS SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2016-03-24 WO disclosed
US-8183234-B2 Tricyclic guanidine derivatives as sodium-proton exchange inhibitors PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-05-22 US disclosed
US-7834001-B2 N-(10,10-Dioxo-10,11-dihydro-5-oxa-10-lambda*6*-thia-dibenzo[a.d]cycloheptene-8-carbonyl)-guanidine; tumor necrosis factor inhibitors; sodium-proton exchange inhibitors for treatment of organ disorders associated with ischemia and reperfusion, cardiac arrhythmia, cardiac hypertrophy PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-11-16 US disclosed
US-20100267690-A1 TRICYCLIC GUANIDINE DERIVATIVES AS SODIUM-PROTON EXCHANGE INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-10-21 US disclosed
US-20070299051-A1 Tricyclic Guanidine Derivatives as Sodium-Proton Exchange Inhibitors NICHOLAS PIRAMAL INDIA LIMITED. (IN) 2007-12-27 US disclosed
EP-1812420-A1 TRICYCLIC GUANIDINE DERIVATIVES AS SODIUM-PROTON EXCHANGE INHIBITORS Nicholas Piramal India Limited (IN) 2007-08-01 EP disclosed
WO-2006051476-A1 TRICYCLIC GUANIDINE DERIVATIVES AS SODIUM-PROTON EXCHANGE INHIBITORS NICHOLAS PIRAMAL INDIA LIMITED (IN) 2006-05-18 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 (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-20170291889-A1 PYRAZOLE DERIVATIVES AS SGC STIMULATORS PTGIS, GMPS, NOS3 DRD2 4241/4885MAPK1 816/4885SMN1; SMN2 2723/4885
US-20100267690-A1 TRICYCLIC GUANIDINE DERIVATIVES AS SODIUM-PROTON EXCHANGE INHIBITORS ATP2A1, ATP2A3, KCNN4 DRD2 1944/4885MAPK1 1436/4885SMN1; SMN2 3205/4885
US-20070299051-A1 Tricyclic Guanidine Derivatives as Sodium-Proton Exchange Inhibitors ATP2A1, ATP2A3, KCNN4 DRD2 1944/4885MAPK1 1436/4885SMN1; SMN2 3205/4885

“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.