SCHEMBL769176

SCHEMBL769176

O=C1CCCc2c(F)cc(Cl)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 2/20 0.41
BRD4 O60885 4/20 0.39
MAPT P10636 4/20 0.37
MAPK1 P28482 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 2/20 0.37
HPGD P15428 1/20 0.37
MAOA P21397 3/20 0.37
MAOB P27338 3/20 0.37
PRKCI P41743 1/20 0.37
VHL P40337 1/20 0.35
ELOC Q15369 1/20 0.35
ELOB Q15370 1/20 0.35
PARP1 P09874 1/20 0.35
THRB P10828 1/20 0.34

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
SCHEMBL31140123 0.89 MEN1 (0.44) MEN1KMT2AL3MBTL1LMNAMAOA
SCHEMBL8365778 0.89 MEN1 (0.44) MEN1KMT2AL3MBTL1LMNAMAOA
SCHEMBL7815325 0.81 MEN1 (0.49) MEN1KMT2AL3MBTL1KDM4ELMNA
SCHEMBL8459403 0.81 MAOA (0.44) MEN1KMT2AKDM4ELMNAGAA
SCHEMBL30070487 0.81 MAOA (0.44) MEN1KMT2AKDM4ELMNAGAA
SCHEMBL11747003 0.79 BRD4 (0.43) MEN1KMT2AL3MBTL1KDM4ELMNA
SCHEMBL3267183 0.78 BRD4 (0.47) MEN1KMT2AKDM4ELMNABRD4
SCHEMBL7387407 0.78 MAOA (0.44) MEN1KMT2AL3MBTL1KDM4ELMNA
SCHEMBL16397656 0.78 SIRT2 (0.39) MEN1KMT2AL3MBTL1KDM4ELMNA
SCHEMBL2818508 0.78 ALDH1A1 (0.41) MEN1KMT2AKDM4ELMNABRD4

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-20120071506-A1 METHODS FOR TREATING CNS DISORDERS WITH BICYCLO-SUBSTITUTED 2-IMIDAZOLINE AND 2-IMIDAZOLES GALLEY GUIDO (DE) 2012-03-22 US disclosed
EP-1981499-A1 USE OF 2-IMIDAZOLES FOR THE TREATMENT OF CNS DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-22 EP disclosed
US-20070197620-A1 Methods for treating CNS disorders with bicyclo-substituted 2-imidazoline and 2-imidazoles HOFFMANN-LA ROCHE INC. 2007-08-23 US disclosed
WO-2007085558-A1 USE OF 2-IMIDAZOLES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 WO disclosed
CN-1113881-C 8-substituted-1,3,8-triaza-spiro [4,5] decan-4-on derivatives HOFFMANN LA ROCHE (CH) 2003-07-09 CN disclosed
CN-1191862-A 8-substituted-1,3,8-triaza-spiro [4,5] decan-4-on derivatives HOFFMANN LA ROCHE (CH) 1998-09-02 CN disclosed
EP-0606661-B1 Octahydrophenanthrene derivatives and their use as NMDA-Antagonists HOFFMANN LA ROCHE (CH) 1997-03-12 EP disclosed
US-5385947-A For prevention of nerve damage due to reduction of blood or oxygen supplies HOFFMANN-LA ROCHE INC. (US) 1995-01-31 US disclosed
EP-0606661-A1 Octahydrophenanthrene derivatives and their use as NMDA-Antagonists F. HOFFMANN-LA ROCHE AG (CH) 1994-07-20 EP 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-20120071506-A1 METHODS FOR TREATING CNS DISORDERS WITH BICYCLO-SUBSTITUTED 2-IMIDAZOLINE AND 2-IMIDAZOLES CRY1, PER2, GPR119 MEN1 709/4885KMT2A 1403/4885L3MBTL1 3198/4885
US-20070197620-A1 Methods for treating CNS disorders with bicyclo-substituted 2-imidazoline and 2-imidazoles CRY1, PER2, GPR119 MEN1 696/4885KMT2A 1385/4885L3MBTL1 3151/4885

“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.