SCHEMBL1318166

SCHEMBL1318166

O=C(Nc1ccccc1)[C@H]1CCCNC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.66
F10 P00742 1/20 0.60
GAA P10253 2/20 0.55
MEN1 O00255 1/20 0.55
MAPT P10636 1/20 0.55
GFER P55789 1/20 0.55
KMT2A Q03164 1/20 0.55
ULK1 O75385 1/20 0.55
JAK3 P52333 1/20 0.54
TNKS O95271 1/20 0.53
TNKS2 Q9H2K2 1/20 0.53
KHK P50053 1/20 0.53
SLC6A1 P30531 2/20 0.51
SLC6A11 P48066 1/20 0.51
TSHR P16473 1/20 0.51
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
SLC6A13 Q9NSD5 1/20 0.51
POLB P06746 1/20 0.51
GLA P06280 1/20 0.50

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
SCHEMBL2446479 1.00 HPGD (0.66) HPGDF10GAAMEN1MAPT
SCHEMBL1318173 1.00 HPGD (0.66) HPGDF10GAAMEN1MAPT
Hydrochloric Acid SCHEMBL4033476 0.98 HPGD (0.64) HPGDF10GAAMEN1MAPT
SCHEMBL1318504 0.90 HPGD (0.60) HPGDF10GAAMEN1MAPT
SCHEMBL14505992 0.90 HPGD (0.60) HPGDF10GAAMEN1MAPT
Hydrochloric Acid SCHEMBL1320464 0.89 HPGD (0.58) HPGDF10GAAMEN1MAPT
SCHEMBL4564743 0.86 ULK1 (0.64) HPGDF10GAAMAPTKMT2A
SCHEMBL1552756 0.85 ULK1 (0.56) HPGDF10ULK1TNKSTNKS2
SCHEMBL2451482 0.85 ULK1 (0.56) ULK1POLB
SCHEMBL2449552 0.85 ULK1 (0.56) F10KMT2AULK1TNKSTNKS2

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-2362775-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-08-05 EP disclosed
EP-2362775-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-08-05 EP disclosed
US-8697685-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2014-04-15 US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 US disclosed
US-7816375-B2 Ligands for monoamine receptors and transporters, and methods of use thereof SEPRACOR INC. (US) 2010-10-19 US disclosed
US-7816375-B2 Ligands for monoamine receptors and transporters, and methods of use thereof SEPRACOR INC. (US) 2010-10-19 US disclosed
WO-2010059658-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-05-27 WO disclosed
US-20090258901-A1 LIGANDS FOR MONOAMINE RECEPTORS AND TRANSPORTERS, AND METHODS OF USE THEREOF AQUILA BRIAN M 2009-10-15 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-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

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-20110275611-A1 CHEMICAL COMPOUNDS PDK1, PDK2, PDK3 HPGD 1133/4885F10 4201/4885GAA 1560/4885
US-20090258901-A1 LIGANDS FOR MONOAMINE RECEPTORS AND TRANSPORTERS, AND METHODS OF USE THEREOF SLC6A2, OPRL1, SLC18A2 HPGD 428/4885F10 3114/4885GAA 238/4885

“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.