SCHEMBL3444707

SCHEMBL3444707

FC(F)(F)C1CCCN(COc2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.48
GAA P10253 3/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
TAAR1 Q96RJ0 1/20 0.42
LTA4H P09960 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL18998097 0.76 MEN1 (0.63) HTR7GAAKMT2AMEN1RXFP1
SCHEMBL23474916 0.75 GAA (0.38) HTR7GAAKMT2AMEN1KDM4E
SCHEMBL23474997 0.75 GAA (0.38) HTR7GAAKMT2AMEN1KDM4E
SCHEMBL23475005 0.75 GAA (0.38) HTR7GAAKMT2AMEN1KDM4E
SCHEMBL12486958 0.74 LTA4H (0.58) LTA4HKDM4EALDH1A1SMN1; SMN2HRH3
SCHEMBL2300940 0.74 LTA4H (0.53) LTA4HKDM4EALDH1A1SMN1; SMN2HRH3
SCHEMBL3154476 0.72 HRH3 (0.57) LTA4HKDM4EALDH1A1SMN1; SMN2HRH3
SCHEMBL21695104 0.70 HRH3 (0.57) GAAKMT2AMEN1KDM4EALDH1A1
SCHEMBL7753956 0.69 MAP4K4 (0.44) HTR7GAAKMT2AMEN1NPC1
SCHEMBL1893679 0.69 GAA (0.46) GAAKMT2AMEN1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816375-B2 Ligands for monoamine receptors and transporters, and methods of use thereof SEPRACOR INC. (US) 2010-10-19 US disclosed
US-20090258901-A1 LIGANDS FOR MONOAMINE RECEPTORS AND TRANSPORTERS, AND METHODS OF USE THEREOF AQUILA BRIAN M 2009-10-15 US disclosed
US-7517892-B2 Ligands for monoamine receptors and transporters, and methods of use thereof SEPRACOR INC. (US) 2009-04-14 US disclosed
US-7294637-B2 Method of treating addiction or dependence using a ligand for a monamine receptor or transporter SEPRACOR, INC. (US) 2007-11-13 US disclosed
US-7132551-B2 Ligands for monoamine receptors and transporters, and methods of use thereof SEPRACOR INC. (US) 2006-11-07 US disclosed
WO-2005077463-A2 LIGAND FOR A MONOAMINE RECEPTOR OR TRANSPORTER FOR TREATING ADDICTION OR DEPENDENCE SEPRACOR INC. (US) 2005-08-25 WO disclosed
US-20050080078-A1 Method of treating addiction or dependence using a ligand for a monoamine receptor or transporter SEPRACOR, INC. (US) 2005-04-14 US disclosed
US-20040077706-A1 Ligands for monoamine receptors and transporters, and methods of use thereof AQUILA BRIAN M (US) 2004-04-22 US disclosed
US-20030050309-A1 Ligands for monoamine receptors and transporters, and methods of use thereof SEPRACOR INC. 2003-03-13 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-20050080078-A1 Method of treating addiction or dependence using a ligand for a monoamine receptor or transporter PNMT, TAAR1, OPRL1 HTR7 268/4885GAA 1412/4885KMT2A 393/4885
US-20030050309-A1 Ligands for monoamine receptors and transporters, and methods of use thereof SLC6A2, OPRL1, SLC18A2 HTR7 23/4885GAA 238/4885KMT2A 2763/4885
US-20040077706-A1 Ligands for monoamine receptors and transporters, and methods of use thereof SLC6A2, OPRL1, SLC18A2 HTR7 23/4885GAA 238/4885KMT2A 2763/4885
US-20090258901-A1 LIGANDS FOR MONOAMINE RECEPTORS AND TRANSPORTERS, AND METHODS OF USE THEREOF SLC6A2, OPRL1, SLC18A2 HTR7 23/4885GAA 238/4885KMT2A 2763/4885

“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.