SCHEMBL839299

SCHEMBL839299

Cc1cc(C(=O)Cc2ccccc2)ccn1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.50
WNT3A P56704 4/20 0.48
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
RAB9A P51151 2/20 0.47
PLAU P00749 1/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SRD5A2 P31213 2/20 0.46
GAA P10253 1/20 0.45
LMNA P02545 1/20 0.44
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM5A P29375 1/20 0.42
KDM4C Q9H3R0 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
SCHEMBL6606556 0.84 WNT3A (0.50) WNT3AMAPTL3MBTL1RAB9AKDM4E
SCHEMBL13740532 0.84 WNT3A (0.46) WNT3AMAPTL3MBTL1RAB9AKDM4E
SCHEMBL363388 0.81 GRM1 (0.57) GRM1MAPTL3MBTL1RAB9APLAU
SCHEMBL10362264 0.79 WNT3A (0.49) WNT3AL3MBTL1RAB9AKMT2A
SCHEMBL1390267 0.78 GPBAR1 (0.48) MAPTGAALMNAALDH1A1KMT2A
SCHEMBL362870 0.78 UHRF1 (0.43) MAPTL3MBTL1RAB9AKDM4ENPC1
SCHEMBL25046020 0.77 LMNA (0.69) SMN1; SMN2GAALMNAALDH1A1
SCHEMBL3894727 0.77 PSEN1 (0.49) WNT3AKMT2A
SCHEMBL20305868 0.77 JMJD6 (0.62) MAPTL3MBTL1RAB9AKDM4ENPC1
SCHEMBL26988943 0.77 PPARG (0.41) WNT3AMAPTALDH1A1KMT2AKDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883786-B2 Glucocorticoid receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2014-11-11 US disclosed
US-20130045972-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2013-02-21 US disclosed
US-8143280-B2 Glucocorticoid receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-03-27 US disclosed
EP-2205562-B1 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-03-16 EP disclosed
EP-2205562-A1 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-07-14 EP disclosed
US-20090088425-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 US disclosed
WO-2009040288-A1 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 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-20090088425-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS NR3C1, NR3C2, MC2R GRM1 81/4885WNT3A 1569/4885MAPT 3375/4885
US-20130045972-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS NR3C1, NR3C2, MC2R GRM1 81/4885WNT3A 1569/4885MAPT 3375/4885

“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.