SCHEMBL2170986

SCHEMBL2170986

COC(=O)c1cc(-c2ccc(C)cn2)cc(-c2cccc(F)c2F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 2/20 0.45
P2RX3 P56373 2/20 0.45
P2RX2 Q9UBL9 2/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
DHODH Q02127 2/20 0.39
CTSA P10619 3/20 0.38
ADORA2A P29274 1/20 0.38
IL2 P60568 1/20 0.38
MET P08581 1/20 0.37
GRIN1 Q05586 2/20 0.37
GRIN2B Q13224 2/20 0.37
PDGFRB P09619 1/20 0.37
KDR P35968 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HPGDS O60760 1/20 0.37

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
SCHEMBL2172956 0.87 NR1I2 (0.45) NR1I2P2RX3P2RX2DHODHCTSA
SCHEMBL2171503 0.85 P2RX3 (0.43) NR1I2P2RX3P2RX2CTSAADORA2A
SCHEMBL2171034 0.84 P2RX3 (0.39) NR1I2P2RX3P2RX2CTSAADORA2A
SCHEMBL3064190 0.83 P2RX3 (0.62) NR1I2P2RX3P2RX2NPC1RAB9A
SCHEMBL2171711 0.82 CYP3A4 (0.46) NR1I2P2RX3P2RX2NPC1DHODH
SCHEMBL1495784 0.82 TDP1 (0.49) NR1I2P2RX3P2RX2RAB9AHDAC6
SCHEMBL2171032 0.81 P2RX3 (0.49) NR1I2P2RX3P2RX2CTSA
SCHEMBL2172363 0.81 P2RX3 (0.49) NR1I2P2RX3P2RX2CTSAGABRA5
SCHEMBL2171448 0.81 NR1H2 (0.43) NR1I2P2RX3P2RX2DHODH
SCHEMBL2171499 0.81 P2RX3 (0.61) NR1I2P2RX3P2RX2

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-9133122-B2 Amide compounds, compositions and uses thereof EVOTEC AG (DE) 2015-09-15 US disclosed
US-9133122-B2 Amide compounds, compositions and uses thereof EVOTEC AG (DE) 2015-09-15 US disclosed
US-9133122-B2 Amide compounds, compositions and uses thereof EVOTEC AG (DE) 2015-09-15 US disclosed
US-20140323532-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2014-10-30 US disclosed
US-20140323532-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2014-10-30 US disclosed
US-20140323532-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2014-10-30 US disclosed
US-20110237578-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2011-09-29 US disclosed
US-20110237578-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2011-09-29 US disclosed
US-20110237578-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2011-09-29 US disclosed
EP-2346825-A2 MODULATORS OF P2X3 RECEPTOR ACTIVITY Evotec AG (DE) 2011-07-27 EP disclosed
WO-2010033168-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2010-03-25 WO disclosed
WO-2010033168-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2010-03-25 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-20110237578-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF ADORA2B, IL1B, AVPR1B NR1I2 400/4885P2RX3 207/4885P2RX2 240/4885
US-20140323532-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF IL1B, ADORA2B, AVPR1B NR1I2 461/4885P2RX3 219/4885P2RX2 259/4885

“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.