SCHEMBL2329093

SCHEMBL2329093

CC1(C)CC(NNC(=O)OC(C)(C)C)CC(C)(C)C1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPK1 P28482 1/20 0.44
GAA P10253 3/20 0.41
BTK Q06187 1/20 0.39
APLNR P35414 1/20 0.37
TSHR P16473 1/20 0.37
EPHX1 P07099 1/20 0.34
CTSK P43235 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
HCRTR2 O43614 1/20 0.33
IDH1 O75874 1/20 0.32
KDM1A O60341 1/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL23038833 0.85 MEN1 (0.45) MEN1KMT2AMAPK1GAABTK
SCHEMBL25978287 0.85 MEN1 (0.45) MEN1KMT2AMAPK1GAABTK
SCHEMBL25978289 0.85 MEN1 (0.45) MEN1KMT2AMAPK1GAABTK
SCHEMBL5280278 0.82 MEN1 (0.43) MEN1KMT2AMAPK1GAABTK
SCHEMBL31021350 0.81 KMT2A (0.45) MEN1KMT2AMAPK1GAABTK
SCHEMBL15600327 0.80 GAA (0.44) MEN1KMT2AMAPK1GAABTK
SCHEMBL2074992 0.78 GAA (0.51) MEN1KMT2AMAPK1GAABTK
SCHEMBL25979754 0.76 KMT2A (0.39) MEN1KMT2AMAPK1GAABTK
SCHEMBL31168732 0.75 GAA (0.43) MEN1KMT2AMAPK1GAABTK
SCHEMBL4492849 0.75 BTK (0.58) MEN1KMT2AMAPK1GAABTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2334684-B1 PYRAZOLOPYRIMIDINES AND THEIR USE FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INT (DE) 2017-08-02 EP disclosed
US-9670216-B2 Cannabinoid-2 agonists ALLERGAN, INC. (US) 2017-06-06 US disclosed
EP-2957560-A1 PYRIDAZINE DERIVATIVES USEFUL AS CANNABINOID-2 AGONISTS ALLERGAN, INC. (US) 2015-12-23 EP disclosed
US-20150284400-A1 CANNABINOID-2 AGONISTS ALLERGAN, INC. 2015-10-08 US disclosed
EP-2534137-B1 PYRIDAZINE DERIVATIVES USEFUL AS CANNABINOID-2 AGONISTS ALLERGAN INC (US) 2015-09-16 EP disclosed
US-9079905-B2 Compounds for the treatment of CNS disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-14 US disclosed
US-9079905-B2 Compounds for the treatment of CNS disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-14 US disclosed
US-9062004-B2 Cannabinoid-2 agonists ALLERGAN, INC. (US) 2015-06-23 US disclosed
US-20130059848-A1 CANNABINOID-2 AGONISTS ALLERGAN, INC (US) 2013-03-07 US disclosed
EP-2534137-A1 PYRIDAZINE DERIVATIVES USEFUL AS CANNABINOID - 2 AGONISTS Allergan, Inc. (US) 2012-12-19 EP disclosed
US-20120115863-A1 COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-10 US disclosed
US-20120115863-A1 COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-10 US disclosed
WO-2011097553-A1 PYRIDAZINE DERIVATIVES USEFUL AS CANNABINOID - 2 AGONISTS ALLERGAN, INC. (US) 2011-08-11 WO disclosed
WO-2010026214-A1 PYRAZOLOPYRIMIDINES AND THEIR USE FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 WO disclosed
WO-2006129120-A9 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2007-03-22 WO disclosed
WO-2006129120-A2 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2006-12-07 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 (3 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-20150284400-A1 CANNABINOID-2 AGONISTS CNR2, CNR1, GPR18 MEN1 2059/4885KMT2A 1443/4885MAPK1 4008/4885
US-20120115863-A1 COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS CNR1, CNR2, CHRM5 MEN1 1874/4885KMT2A 2095/4885MAPK1 1647/4885
US-20130059848-A1 CANNABINOID-2 AGONISTS CNR2, CNR1, GPR18 MEN1 2186/4885KMT2A 1864/4885MAPK1 3265/4885

“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.