SCHEMBL2190718

SCHEMBL2190718

COCCN(C/C=C/c1ccccc1)Cc1ccc(/C=C/C(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
HDAC3 O15379 1/20 0.44
TNKS O95271 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
THRB P10828 1/20 0.42
ATM Q13315 1/20 0.42
PTGER4 P35408 1/20 0.41
PTGER3 P43115 1/20 0.41

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
SCHEMBL2190722 1.00 MEN1 (0.64) MEN1KMT2AHDAC3TNKSHDAC4
SCHEMBL13435492 0.88 MEN1 (0.57) MEN1KMT2ABCHEACHENR1H4
SCHEMBL13912776 0.87 MEN1 (0.65) MEN1KMT2AHDAC1HDAC6BCHE
SCHEMBL13435489 0.83 MEN1 (0.70) MEN1KMT2ABCHE
SCHEMBL2191761 0.77 MEN1 (0.61) MEN1KMT2ABCHEKDM4E
SCHEMBL2191763 0.77 MEN1 (0.61) MEN1KMT2ABCHEKDM4E
SCHEMBL13461850 0.76 MEN1 (0.55) MEN1KMT2AHDAC1HDAC6BCHE
SCHEMBL13912778 0.73 MEN1 (0.54) MEN1KMT2AHDAC1HDAC6BCHE
SCHEMBL20010460 0.72 THRB (0.57) HDAC3TNKSHDAC4HDAC1HCAR2
SCHEMBL10580674 0.72 THRB (0.57) HDAC3TNKSHDAC4HDAC1HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1509489-B1 AMINES THAT INHIBIT A MAMMALIAN ANANDAMIDE TRANSPORTER, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2011-07-13 EP disclosed
EP-1509489-B1 AMINES THAT INHIBIT A MAMMALIAN ANANDAMIDE TRANSPORTER, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2011-07-13 EP disclosed
US-7671087-B2 Amines that inhibit a mammalian anandamide transporter, and methods of use thereof SEPRACOR INC. (US) 2010-03-02 US disclosed
US-7671087-B2 Amines that inhibit a mammalian anandamide transporter, and methods of use thereof SEPRACOR INC. (US) 2010-03-02 US disclosed
US-7671087-B2 Amines that inhibit a mammalian anandamide transporter, and methods of use thereof SEPRACOR INC. (US) 2010-03-02 US disclosed
US-20090163593-A1 AMINES THAT INHIBIT A MAMMALIAN ANANDAMIDE TRANSPORTER, AND METHODS OF USE THEREOF AQUILA BRIAN M 2009-06-25 US disclosed
US-20090163593-A1 AMINES THAT INHIBIT A MAMMALIAN ANANDAMIDE TRANSPORTER, AND METHODS OF USE THEREOF AQUILA BRIAN M 2009-06-25 US disclosed
US-20090163593-A1 AMINES THAT INHIBIT A MAMMALIAN ANANDAMIDE TRANSPORTER, AND METHODS OF USE THEREOF AQUILA BRIAN M 2009-06-25 US disclosed
US-7511073-B2 Amines that inhibit a mammalian anandamide transporter, and methods of use thereof SEPRACOR, INC. (US) 2009-03-31 US disclosed
US-7511073-B2 Amines that inhibit a mammalian anandamide transporter, and methods of use thereof SEPRACOR, INC. (US) 2009-03-31 US disclosed
US-7511073-B2 Amines that inhibit a mammalian anandamide transporter, and methods of use thereof SEPRACOR, INC. (US) 2009-03-31 US disclosed
US-20060281742-A1 Amines that inhibit a mammalian anandamide transporter, and methods of use thereof AQUILA BRIAN M 2006-12-14 US disclosed
US-7049329-B2 Amines that inhibit a mammalian anandamide transporter, and methods of use thereof SEPRACOR INC. (US) 2006-05-23 US disclosed
US-20040048907-A1 Amines that inhibit a mammalian anandamide transporter, and methods of use thereof SEPRACOR INC. 2004-03-11 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 (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-20040048907-A1 Amines that inhibit a mammalian anandamide transporter, and methods of use thereof SLC6A2, HTR2A, SLC18A1 MEN1 917/4885KMT2A 771/4885HDAC3 2289/4885
US-20060281742-A1 Amines that inhibit a mammalian anandamide transporter, and methods of use thereof SLC6A2, HTR2A, SLC18A1 MEN1 917/4885KMT2A 771/4885HDAC3 2289/4885
US-20090163593-A1 AMINES THAT INHIBIT A MAMMALIAN ANANDAMIDE TRANSPORTER, AND METHODS OF USE THEREOF SLC6A2, HTR2A, SLC18A1 MEN1 917/4885KMT2A 771/4885HDAC3 2289/4885

“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.