SCHEMBL3203044

SCHEMBL3203044

CCOC(=O)Cn1c(=O)n(C(=O)OC(C)(C)C)c2cccc(C(CC)CC)c21

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
L3MBTL1 Q9Y468 5/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 3/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
GAA P10253 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.39
CYP2D6 P10635 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL2087105 0.89 ALDH1A1 (0.36) ALDH1A1L3MBTL1CYP1A2CYP3A4CYP2C9
SCHEMBL3726869 0.88 TNF (0.46) ALDH1A1L3MBTL1CYP1A2CYP3A4CYP2C9
SCHEMBL3207858 0.87 ALDH1A1 (0.52) ALDH1A1L3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL25230511 0.82 ALDH1A1 (0.68) ALDH1A1L3MBTL1CYP1A2CYP3A4CYP2C9
SCHEMBL3210071 0.79 MEN1 (0.54) ALDH1A1L3MBTL1CYP1A2CYP3A4CYP2C9
SCHEMBL2833834 0.73 MEN1 (0.52) ALDH1A1L3MBTL1CYP1A2CYP3A4CYP2C9
SCHEMBL2084821 0.71 DAO (0.41) L3MBTL1
SCHEMBL12730331 0.69 NR1H2 (0.37) CYP1A2CYP3A4TSHRLMNA
SCHEMBL28357637 0.69 MEN1 (0.51) ALDH1A1L3MBTL1CYP1A2CYP3A4CYP2C9
SCHEMBL25276282 0.67 APEX1 (0.59) ALDH1A1L3MBTL1CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8901141-B2 Tricyclic compounds having corticotropin-releasing factor antagonistic activity and pharmaceutical compositions containing them TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2014-12-02 US disclosed
EP-2240485-B1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TAKEDA PHARMACEUTICAL (JP) 2014-10-15 EP disclosed
US-8785460-B2 Tricyclic compounds and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-22 US disclosed
US-20100298287-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-25 US disclosed
US-20100056515-A1 BENZIMIDAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-04 US disclosed
EP-2088861-A2 BENZIMIDAZOLE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2009-08-19 EP disclosed
US-20090186879-A1 TRICYCLIC COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-07-23 US disclosed
WO-2008051533-A2 BENZIMIDAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-02 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-20100056515-A1 BENZIMIDAZOLE COMPOUNDS HRH4, SSTR5, CNR1 ALDH1A1 1562/4885L3MBTL1 3156/4885CYP1A2 696/4885
US-20090186879-A1 TRICYCLIC COMPOUNDS AND USE THEREOF CRHR1, CRHR2, HCRTR1 ALDH1A1 2741/4885L3MBTL1 3997/4885CYP1A2 320/4885
US-20100298287-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CRH, CRHR1, CRHR2 ALDH1A1 4352/4885L3MBTL1 4602/4885CYP1A2 816/4885

“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.