SCHEMBL2394069

SCHEMBL2394069

CC(C)(C)OC(=O)N1CCC(c2cc(O)[nH]n2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.51
KDM4E B2RXH2 3/20 0.50
MAPT P10636 2/20 0.50
THRB P10828 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
PDE4B Q07343 1/20 0.47
CNR1 P21554 2/20 0.46
HPGDS O60760 1/20 0.45
TRPV3 Q8NET8 1/20 0.44
USP30 Q70CQ3 2/20 0.43
ALDH1A1 P00352 4/20 0.43
EPHX1 P07099 1/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
GPR119 Q8TDV5 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
SCHEMBL2394063 1.00 HTT (0.51) HTTKDM4EMAPTTHRBMEN1
SCHEMBL19385186 0.81 HTT (0.56) HTTKDM4EMAPTTHRBMEN1
SCHEMBL2282267 0.80 HTT (0.50) HTTKDM4EMAPTTHRBMEN1
SCHEMBL20299835 0.79 HTT (0.54) HTTKDM4EMAPTTHRBMEN1
SCHEMBL31663414 0.79 HTT (0.57) HTTKDM4EMAPTTHRBMEN1
SCHEMBL1493280 0.79 HTT (0.54) HTTKDM4EMAPTTHRBMEN1
SCHEMBL19779464 0.78 HTT (0.56) HTTKDM4EMAPTTHRBMEN1
SCHEMBL17507070 0.78 KDM4E (0.47) HTTKDM4EMAPTTHRBMEN1
SCHEMBL27034321 0.78 KDM4E (0.49) HTTKDM4EMAPTTHRBMEN1
SCHEMBL30944645 0.78 KDM4E (0.46) HTTKDM4EMAPTTHRBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2225238-B1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZOÝ1,2- ¨IMIDAZOLE-3- CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INT (DE) 2014-09-03 EP disclosed
US-8552205-B2 Derivatives of 6,7-dihydro-5H-imidazo[1,2-alpha]imidazole-3-carboxylic acid amides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-08 US disclosed
US-20110224188-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-alpha]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-15 US disclosed
EP-2225238-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZOÝ1,2- ¨IMIDAZOLE-3- CARBOXYLIC ACID AMIDES Boehringer Ingelheim International GmbH (DE) 2010-09-08 EP disclosed
WO-2009070485-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-α]IMIDAZOLE-3- CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 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 (1 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-20110224188-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-alpha]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES HPGDS, COL14A1, ARG1 HTT 4215/4885KDM4E 1701/4885MAPT 2621/4885

“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.