SCHEMBL13435485

SCHEMBL13435485

C=CCOc1ccc(CN(CCOC)CCC(=O)OCC)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.45
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
CYSLTR2 Q9NS75 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.37
BCHE P06276 1/20 0.37
LMNA P02545 1/20 0.36
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
CHRNB2 P17787 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
SCHEMBL25489028 0.85 LTA4H (0.46) LTA4HMEN1KMT2APOLBMAPT
SCHEMBL8024395 0.77 CYP4F2 (0.59) LTA4HMEN1KMT2APOLBMAPT
SCHEMBL6448296 0.74 MAPT (0.50) MEN1KMT2APOLBMAPTSMN1; SMN2
SCHEMBL9833066 0.73 ALDH1A1 (0.48) LTA4HKMT2AMAPTSMN1; SMN2USP2
SCHEMBL2191763 0.72 MEN1 (0.61) MEN1KMT2ASMN1; SMN2BCHE
SCHEMBL14182312 0.72 ALDH1A1 (0.43) LTA4HMEN1KMT2APOLBSMN1; SMN2
SCHEMBL14182347 0.72 ALDH1A1 (0.43) LTA4HMEN1KMT2APOLBSMN1; SMN2
SCHEMBL16839694 0.72 LTA4H (0.53) LTA4HKMT2APOLBMAPTSMN1; SMN2
SCHEMBL9324850 0.71 SMN1; SMN2 (0.55) LTA4HKMT2APOLBSMN1; SMN2NPC1
SCHEMBL8421528 0.71 SMN1; SMN2 (0.61) POLBMAPTSMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7511073-B2 Amines that inhibit a mammalian anandamide transporter, and methods of use thereof SEPRACOR, INC. (US) 2009-03-31 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 (1 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-20090163593-A1 AMINES THAT INHIBIT A MAMMALIAN ANANDAMIDE TRANSPORTER, AND METHODS OF USE THEREOF SLC6A2, HTR2A, SLC18A1 LTA4H 1794/4885MEN1 917/4885KMT2A 771/4885

“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.