SCHEMBL5294182

SCHEMBL5294182

c1cc2c(cc1OCC1CCCNC1)OCO2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.56
CYP3A4 P08684 4/20 0.56
SLC6A2 P23975 4/20 0.56
TP53 P04637 2/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2D6 P10635 2/20 0.56
GRK2 P25098 2/20 0.56
SLC6A3 Q01959 2/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP2C9 P11712 1/20 0.56
HSD17B10 Q99714 1/20 0.56
NPC1 O15118 1/20 0.56
CACNA1F O60840 1/20 0.56
MPO P05164 1/20 0.56
ADRB2 P07550 1/20 0.56
CHRM2 P08172 1/20 0.56
CHRM4 P08173 1/20 0.56
ABCB1 P08183 1/20 0.56
HTR1A P08908 1/20 0.56
CHRM5 P08912 1/20 0.56

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
SCHEMBL24093999 1.00 SLC6A4 (0.56) SLC6A4CYP3A4SLC6A2TP53CYP1A2
SCHEMBL985688 0.84 MAOB (0.54) SLC6A4CYP3A4SLC6A2TP53CYP1A2
SCHEMBL12735771 0.83 SLC6A4 (0.58) SLC6A4CYP3A4SLC6A2TP53CYP1A2
SCHEMBL983383 0.81 MAOB (0.57) SLC6A4CYP3A4SLC6A2TP53CYP1A2
SCHEMBL5216722 0.77 MAP2K1 (0.52) SLC6A4SLC6A2SLC6A3ADRB2HTR1A
SCHEMBL24093990 0.77 CYP3A4 (0.65) SLC6A4CYP3A4SLC6A2TP53CYP1A2
SCHEMBL2941353 0.77 EED (0.58) SLC6A4CYP3A4SLC6A2CYP1A2CYP2D6
SCHEMBL13107018 0.77 SLC6A2 (0.84) SLC6A4SLC6A2SLC6A3KCNH2MAP2K1
SCHEMBL13107007 0.77 MAP2K1 (0.56) SLC6A4SLC6A2SLC6A3KCNH2MAP2K1
SCHEMBL12622443 0.75 KDM1A (0.60) SLC6A4SLC6A2SLC6A3KCNH2TDP1

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
EP-3570814-B1 MOLECULAR ADJUVANTS FOR ENHANCED CYTOSOLIC DELIVERY OF ACTIVE AGENTS UNIV GENT (BE) 2023-11-29 EP disclosed
EP-3313396-B1 G PROTEIN-COUPLED RECEPTOR KINASE INHIBITORS AND METHODS FOR USE OF THE SAME UNIV MICHIGAN REGENTS (US) 2021-12-15 EP disclosed
WO-2021046225-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2021-03-11 WO 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
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-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
WO-2007015262-A2 A PROCESS FOR THE PREPARATION OF (-)-TRANS-4-(P-FLUOROPHENYL)-3-[[3,4-(METHYLENEDIOXY)PHENOXY]METHYL)]PIPERIDINE SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2007-02-08 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 (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-20090258901-A1 LIGANDS FOR MONOAMINE RECEPTORS AND TRANSPORTERS, AND METHODS OF USE THEREOF SLC6A2, OPRL1, SLC18A2 SLC6A4 13/4885CYP3A4 1903/4885SLC6A2 1/4885

“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.