SCHEMBL1622326

SCHEMBL1622326

CCOC(=O)C1CCN(C(=O)OC(C)(C)C)CC(C)C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
GLA P06280 1/20 0.40
RECQL P46063 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TP53 P04637 1/20 0.40
GPR119 Q8TDV5 3/20 0.39
THRB P10828 1/20 0.39
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
DPP4 P27487 1/20 0.37

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
SCHEMBL18618384 0.89 MAPT (0.46) MAPTALDH1A1MEN1KMT2ATSHR
SCHEMBL1966583 0.87 MAPT (0.42) MAPTALDH1A1MEN1KMT2ATSHR
SCHEMBL3724270 0.83 MEN1 (0.43) MAPTALDH1A1MEN1KMT2ATSHR
SCHEMBL19073664 0.83 ALDH1A1 (0.39) MAPTALDH1A1MEN1KMT2ATSHR
SCHEMBL19073726 0.81 MEN1 (0.45) MAPTALDH1A1MEN1KMT2ATSHR
SCHEMBL652243 0.81 MEN1 (0.45) MAPTALDH1A1MEN1KMT2ATSHR
SCHEMBL31257394 0.80 TP53 (0.44) MAPTALDH1A1MEN1KMT2ATSHR
SCHEMBL21818827 0.80 MAPT (0.42) MAPTALDH1A1MEN1KMT2ATSHR
SCHEMBL28629106 0.80 MAPT (0.42) MAPTALDH1A1MEN1KMT2ATSHR
SCHEMBL183757 0.80 MEN1 (0.44) MAPTALDH1A1MEN1KMT2ATSHR

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
US-9346816-B2 6,7,8,9-tetrahydro-5H-1,4,7,10a-tetraaza-cyclohept[f]indene derivatives, pharmaceutical compositions containing these compounds, their use and processes for preparing them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-24 US disclosed
US-9346816-B2 6,7,8,9-tetrahydro-5H-1,4,7,10a-tetraaza-cyclohept[f]indene derivatives, pharmaceutical compositions containing these compounds, their use and processes for preparing them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-24 US disclosed
US-9346816-B2 6,7,8,9-tetrahydro-5H-1,4,7,10a-tetraaza-cyclohept[f]indene derivatives, pharmaceutical compositions containing these compounds, their use and processes for preparing them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-24 US disclosed
US-20140066428-A1 6,7,8,9-Tetrahydro-5H-1,4,7,10a-tetraaza-cyclohept[f]indene derivatives, pharmaceutical compositions containing these compounds, their use and processes for preparing them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-06 US disclosed
US-20140066428-A1 6,7,8,9-Tetrahydro-5H-1,4,7,10a-tetraaza-cyclohept[f]indene derivatives, pharmaceutical compositions containing these compounds, their use and processes for preparing them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-06 US disclosed
US-20140066428-A1 6,7,8,9-Tetrahydro-5H-1,4,7,10a-tetraaza-cyclohept[f]indene derivatives, pharmaceutical compositions containing these compounds, their use and processes for preparing them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-06 US disclosed
EP-2384328-B1 6,7,8,9-TETRAHYDRO-5H-1,4,7,10A-TETRAAZA-CYCLOHEPT[F]INDENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR PREPARING THEM BOEHRINGER INGELHEIM INT (DE) 2013-02-13 EP disclosed
US-20120165304-A1 6,7,8,9-Tetrahydro-5H-1,4,7,10a-tetraaza-cyclohept[f]indene derivatives, pharmaceutical compositions containing these compounds, their use and processes for preparing them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 US disclosed
US-20120165304-A1 6,7,8,9-Tetrahydro-5H-1,4,7,10a-tetraaza-cyclohept[f]indene derivatives, pharmaceutical compositions containing these compounds, their use and processes for preparing them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 US disclosed
US-20120165304-A1 6,7,8,9-Tetrahydro-5H-1,4,7,10a-tetraaza-cyclohept[f]indene derivatives, pharmaceutical compositions containing these compounds, their use and processes for preparing them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 US disclosed
US-7928099-B2 Pyrimido [4,5-D] azepine derivatives as 5-HT2c agonists PFIZER INC (US) 2011-04-19 US disclosed
US-7928099-B2 Pyrimido [4,5-D] azepine derivatives as 5-HT2c agonists PFIZER INC (US) 2011-04-19 US disclosed
US-20100113422-A1 Pyrimido [4,5-D] Azepine Derivatives As 5-HT2C Agonists ANDREWS MARK 2010-05-06 US disclosed
US-20100113422-A1 Pyrimido [4,5-D] Azepine Derivatives As 5-HT2C Agonists ANDREWS MARK 2010-05-06 US disclosed
CN-101652367-A Pyrimido [4, 5-D ] azepine derivatives as 5-HT 2C agonists PFIZER LTD GB 2010-02-17 CN disclosed
WO-2006044762-A2 TETRAHYDRO-5H-PYRIMIDO[4,5-D]AZEPINE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES ASSOCIATED WITH THE 5-HT2C RECEPTOR BAYER PHARMACEUTICALS CORPORATION (US) 2006-04-27 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-20120165304-A1 6,7,8,9-Tetrahydro-5H-1,4,7,10a-tetraaza-cyclohept[f]indene derivatives, pharmaceutical compositions containing these compounds, their use and processes for preparing them HTR1A, HTR2C, TPH1 MAPT 2364/4885ALDH1A1 684/4885MEN1 1938/4885
US-20140066428-A1 6,7,8,9-Tetrahydro-5H-1,4,7,10a-tetraaza-cyclohept[f]indene derivatives, pharmaceutical compositions containing these compounds, their use and processes for preparing them HTR1A, HTR2C, TPH1 MAPT 2204/4885ALDH1A1 715/4885MEN1 1988/4885
US-20100113422-A1 Pyrimido [4,5-D] Azepine Derivatives As 5-HT2C Agonists HTR2C, HTR2A, HTR5A MAPT 4054/4885ALDH1A1 1262/4885MEN1 1573/4885

“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.