SCHEMBL2186358

SCHEMBL2186358

COC(=O)c1cc(-c2ccc(C)cc2C#N)cc(-c2ccccc2CO)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.40
GRM5 P41594 1/20 0.39
KLKB1 P03952 1/20 0.38
EGFR P00533 1/20 0.37
CYP46A1 Q9Y6A2 1/20 0.37
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
ADORA2A P29274 3/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
BAZ2B Q9UIF8 1/20 0.35
BAZ2A Q9UIF9 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
XDH P47989 1/20 0.35
MYC P01106 1/20 0.35
WDR5 P61964 1/20 0.35
HTT P42858 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
SCHEMBL16195102 0.90 KDM4E (0.41) GRM2GRM5KLKB1ALDH1A1TDP1
SCHEMBL2383724 0.88 GRM2 (0.44) GRM2GRM5KLKB1ALDH1A1BAZ2B
SCHEMBL1495543 0.85 TDP1 (0.45) GRM2GRM5KLKB1CYP46A1ALDH1A1
SCHEMBL1495591 0.84 CYP46A1 (0.40) GRM2GRM5KLKB1CYP46A1ALDH1A1
SCHEMBL7950971 0.83 EGFR (0.39) EGFRCYP46A1ALDH1A1TDP1MTNR1A
SCHEMBL2381997 0.83 P2RX3 (0.41) GRM5KLKB1ROCK2ROCK1
SCHEMBL1495689 0.81 KDM4E (0.43) CYP46A1ALDH1A1TDP1KDM4EHPGD
SCHEMBL1495671 0.80 TDP1 (0.41) GRM2GRM5EGFRCYP46A1ALDH1A1
SCHEMBL1495802 0.80 CA12 (0.47) GRM2GRM5KLKB1EGFRCYP46A1
SCHEMBL2171295 0.79 NOTUM (0.41) GRM2GRM5KLKB1CYP46A1ALDH1A1

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 9 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-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

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 GRM2 146/4885GRM5 315/4885KLKB1 1900/4885
US-20140323532-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF IL1B, ADORA2B, AVPR1B GRM2 93/4885GRM5 278/4885KLKB1 1812/4885

“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.