SCHEMBL273676

SCHEMBL273676

CCOC(=O)C1CN(C(=O)CCc2ccccc2)CCc2c1[nH]c1ccccc21

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.57
ALDH1A1 P00352 3/20 0.54
TP53 P04637 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.49
ADRA2A P08913 1/20 0.48
ADRA1A P35348 1/20 0.48
KDM4E B2RXH2 3/20 0.45
HSD17B10 Q99714 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPK10 P53779 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL275384 0.91 KDM4E (0.50) LMNAALDH1A1TP53ADRA2AADRA1A
SCHEMBL273558 0.85 ABCG2 (0.52) ALDH1A1ADRA2AADRA1AKDM4EMAPT
SCHEMBL274586 0.81 ADRA2A (0.52) LMNAALDH1A1TP53ADRA2AADRA1A
SCHEMBL275525 0.80 ALDH1A1 (0.55) LMNAALDH1A1TP53ADRA2AADRA1A
SCHEMBL273496 0.80 NR1H4 (0.56) LMNAALDH1A1ADRA2AADRA1AMEN1
SCHEMBL275317 0.80 MAPT (0.51) ALDH1A1ADRA2AADRA1AKDM4EMAPT
SCHEMBL274292 0.79 ABCG2 (0.58) LMNAALDH1A1TP53ADRA2AADRA1A
SCHEMBL275594 0.79 MAPT (0.56) LMNATP53ADRA2AADRA1AMEN1
SCHEMBL10290925 0.79 HPGD (0.52) LMNATP53ADRA2AADRA1AKDM4E
SCHEMBL275616 0.79 SMN1; SMN2 (0.54) ALDH1A1ADRA2AADRA1AKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524704-B2 Azepinoindole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2013-09-03 US disclosed
US-8133992-B2 Azepinoindole and pyridoindole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2012-03-13 US disclosed
EP-1532153-B1 AZEPINOINDOLE AND PYRIDOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS X CEPTOR THERAPEUTICS INC (US) 2012-02-29 EP disclosed
US-20100173824-A1 Azepinoindole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2010-07-08 US disclosed
US-20090326218-A1 Azepinoindole and Pyridoindole Derivatives as Pharmaceutical Agents EXELIXIS, INC. (US) 2009-12-31 US disclosed
US-7595311-B2 Modulating active of receptors; therapy prevention of disease such aas symthrome X, antidiabetic agents, insulin resistance, hypoglycemic agents EXELIXIS, INC. (US) 2009-09-29 US disclosed
US-7485634-B2 Azepinoindole and pyridoindole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2009-02-03 US disclosed
EP-1692136-A2 AZEPINOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS X-Ceptor Therapeutics, Inc. (US) 2006-08-23 EP disclosed
WO-2005056554-A2 AZEPINOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2005-06-23 WO disclosed
US-20050054634-A1 Modulating active of receptors; therapy prevention of disease such aas symthrome X, antidiabetic agents, insulin resistance, hypoglycemic agents AKARNA THERAPEUTICS, LTD. (GB) 2005-03-10 US disclosed
US-20040023947-A1 Azepinoindole and pyridoindole derivatives as pharmaceutical agents X-CEPTOR THERAPEUTICS INC. 2004-02-05 US 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 (4 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-20040023947-A1 Azepinoindole and pyridoindole derivatives as pharmaceutical agents HTR5A, MTNR1A, PTGDR LMNA 3371/4885ALDH1A1 1722/4885TP53 3109/4885
US-20100173824-A1 Azepinoindole Derivatives As Pharmaceutical Agents HTR2A, HTR5A, HTR2C LMNA 3880/4885ALDH1A1 1321/4885TP53 3372/4885
US-20090326218-A1 Azepinoindole and Pyridoindole Derivatives as Pharmaceutical Agents HTR5A, MTNR1A, PTGDR LMNA 3371/4885ALDH1A1 1722/4885TP53 3109/4885
US-20050054634-A1 Modulating active of receptors; therapy prevention of disease such aas symthrome X, antidiabetic agents, insulin resistance, hypoglycemic agents GPR119, IRS1, INSR LMNA 2897/4885ALDH1A1 3963/4885TP53 4704/4885

“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.