SCHEMBL12405441

SCHEMBL12405441

CNc1ccc2c(c1)N(C(=O)OC(C)(C)C)CCCO2

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.46
BTK Q06187 1/20 0.46
KEAP1 Q14145 2/20 0.43
NFE2L2 Q16236 2/20 0.43
MAPT P10636 6/20 0.40
TP53 P04637 2/20 0.40
THRB P10828 2/20 0.40
GPR119 Q8TDV5 3/20 0.39
MET P08581 2/20 0.39
USP30 Q70CQ3 1/20 0.37
INSR P06213 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL12404986 0.93 EGFR (0.51) EGFRBTKKEAP1NFE2L2MAPT
SCHEMBL6172239 0.83 LMNA (0.42) EGFRBTKKEAP1NFE2L2MAPT
SCHEMBL29620812 0.83 LMNA (0.42) EGFRBTKKEAP1NFE2L2MAPT
SCHEMBL12405419 0.83 EGFR (0.49) EGFRBTKKEAP1NFE2L2MAPT
SCHEMBL6183885 0.82 EGFR (0.41) EGFRBTKKEAP1NFE2L2MAPT
SCHEMBL12404957 0.82 EGFR (0.52) EGFRBTKKEAP1NFE2L2MAPT
SCHEMBL12405352 0.81 EGFR (0.53) EGFRBTKKEAP1NFE2L2MAPT
SCHEMBL13387507 0.81 EGFR (0.49) EGFRBTKKEAP1NFE2L2MAPT
SCHEMBL12404982 0.81 EGFR (0.51) EGFRBTKKEAP1NFE2L2MAPT
SCHEMBL3132755 0.80 NOTUM (0.54) MAPTTHRBUSP30KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7985748-B2 ALPHA2C adrenoreceptor agonists PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2011-07-26 US disclosed
US-7985748-B2 ALPHA2C adrenoreceptor agonists PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2011-07-26 US disclosed
EP-1934203-B1 3,4-dihydro-2H-benzo[1,4]oxazine and 3,4-dihydro-2H-benzo[1,4]thiazine COMPOUNDS AS ALPHA2C ADRENORECEPTOR AGONISTS SCHERING CORP (US) 2010-08-18 EP disclosed
US-20100173823-A1 ALPHA2C ADRENORECEPTOR AGONISTS MERCK SHARP & DOHME CORP. 2010-07-08 US disclosed
US-20100173823-A1 ALPHA2C ADRENORECEPTOR AGONISTS MERCK SHARP & DOHME CORP. 2010-07-08 US disclosed
US-7700592-B2 α2C adrenoreceptor agonists SCHERING CORPORATION (US) 2010-04-20 US disclosed
US-7700592-B2 α2C adrenoreceptor agonists SCHERING CORPORATION (US) 2010-04-20 US disclosed
WO-2008100463-A1 3,4-DIHYDR0-L,4-BENZ0XAZINE, 3, 4-DIHYDR0-1, 4-BENZOTHIAZINE AND 1,2,3,4-TETRAHYDRO-QUINOXALINE DERIVATIVES AS ALPHA2C ADRENORECEPTOR AGONISTS SCHERING CORPORATION (US) 2008-08-21 WO disclosed
US-20080039439-A1 Alpha2C adrenoreceptor agonists SCHERING CORPORATION 2008-02-14 US disclosed
US-20080039439-A1 Alpha2C adrenoreceptor agonists SCHERING CORPORATION 2008-02-14 US disclosed
US-20070093477-A1 Alpha2C adrenoreceptor agonists SCHERING CORPORATION AND PHARMACOPEIA DRUG DISCOVERY, INC. 2007-04-26 US disclosed
US-20070093477-A1 Alpha2C adrenoreceptor agonists SCHERING CORPORATION AND PHARMACOPEIA DRUG DISCOVERY, INC. 2007-04-26 US disclosed
WO-2007024949-A2 ALPHA2C ADRENORECEPTOR AGONISTS SCHERING CORPORATION (US) 2007-03-01 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-20100173823-A1 ALPHA2C ADRENORECEPTOR AGONISTS ADRA2C, ADRB2, ADRA2A EGFR 4346/4885BTK 4199/4885KEAP1 987/4885
US-20070093477-A1 Alpha2C adrenoreceptor agonists ADRA2C, ADRB2, ADRA2A EGFR 4346/4885BTK 4199/4885KEAP1 987/4885
US-20080039439-A1 Alpha2C adrenoreceptor agonists ADRA2C, ADRB2, ADRA2A EGFR 4346/4885BTK 4199/4885KEAP1 987/4885

“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.