SCHEMBL1424499

SCHEMBL1424499

COC(=O)c1c(CN(C)C(=O)OC(C)(C)C)cccc1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.38
SLC6A4 P31645 3/20 0.38
GLS O94925 1/20 0.37
TSPO P30536 2/20 0.37
MEN1 O00255 1/20 0.36
CRHBP P24387 1/20 0.36
KMT2A Q03164 1/20 0.36
CRHR2 Q13324 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 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
SCHEMBL1403500 0.92 LMNA (0.40) HTR2CSLC6A4GLSTSPOMEN1
SCHEMBL1403561 0.90 HTR2C (0.40) HTR2CSLC6A4GLSMEN1CRHBP
SCHEMBL1424288 0.86 HCRTR1 (0.39) ALDH1A1MAPTTSHRLMNA
SCHEMBL14275285 0.84 ALDH1A1 (0.35) HTR2CSLC6A4GLSCA12CA1
SCHEMBL22657965 0.83 HTR2C (0.45) HTR2CSLC6A4GLSMEN1CRHBP
SCHEMBL1424286 0.81 ALDH1A1 (0.38) ALDH1A1MAPTTSHRLMNAMAPK8
SCHEMBL1424508 0.81 TSHR (0.43) HTR2CSLC6A4MEN1CRHBPKMT2A
SCHEMBL1424500 0.77 HIF1A (0.38) KMT2ACA12CA1CA2CA7
SCHEMBL8017533 0.76 HTR2C (0.47) HTR2CSLC6A4GLSMEN1CRHBP
SCHEMBL3107925 0.75 MAPK8 (0.39) HTR2CSLC6A4ALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140113935-A1 N-METHYLAMINOMETHYL ISOINDOLE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION (US) 2014-04-24 US disclosed
US-8648096-B2 N-methylaminomethyl isoindole compounds and compositions comprising and methods of using the same CELGENE CORPORATION (US) 2014-02-11 US disclosed
US-8648096-B2 N-methylaminomethyl isoindole compounds and compositions comprising and methods of using the same CELGENE CORPORATION (US) 2014-02-11 US disclosed
US-8648096-B2 N-methylaminomethyl isoindole compounds and compositions comprising and methods of using the same CELGENE CORPORATION (US) 2014-02-11 US disclosed
CN-103382197-A N-methylaminomethyl isoindole compounds and compositions comprising and methods of using the same CELGENE CORP 2013-11-06 CN disclosed
EP-2076260-B1 N-METHYLAMINOMETHYL ISOINDOLE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORP (US) 2011-03-23 EP disclosed
CN-101534820-A N-methylaminomethylisoindole compounds and compositions comprising and methods of using the same CELGENE CORP (US) 2009-09-16 CN disclosed
EP-2076260-A1 N-METHYLAMINOMETHYL ISOINDOLE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION (US) 2009-07-08 EP disclosed
US-20080214615-A1 N-methylaminomethyl isoindole compounds and compositions comprising and methods of using the same CELGENE CORPORATION 2008-09-04 US disclosed
US-20080214615-A1 N-methylaminomethyl isoindole compounds and compositions comprising and methods of using the same CELGENE CORPORATION 2008-09-04 US disclosed
US-20080214615-A1 N-methylaminomethyl isoindole compounds and compositions comprising and methods of using the same CELGENE CORPORATION 2008-09-04 US disclosed
WO-2008033567-A1 N-METHYLAMINOMETHYL ISOINDOLE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION (US) 2008-03-20 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 (2 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-20080214615-A1 N-methylaminomethyl isoindole compounds and compositions comprising and methods of using the same INMT, HNMT, TPMT HTR2C 11/4885SLC6A4 127/4885GLS 1016/4885
US-20140113935-A1 N-METHYLAMINOMETHYL ISOINDOLE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME INMT, HNMT, TPMT HTR2C 11/4885SLC6A4 127/4885GLS 1016/4885

“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.