SCHEMBL4623634

SCHEMBL4623634

CNCC[C@@H](Oc1ccc(O)cc1C)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 15/20 0.71
SLC6A2 P23975 6/20 0.71
CYP1A2 P05177 4/20 0.71
CYP3A4 P08684 4/20 0.71
CYP2D6 P10635 4/20 0.71
TSHR P16473 3/20 0.71
SLC6A3 Q01959 3/20 0.71
CHRM1 P11229 2/20 0.71
ADRA2B P18089 2/20 0.71
HTR2A P28223 2/20 0.71
HTR2C P28335 2/20 0.71
HRH1 P35367 2/20 0.71
OPRM1 P35372 2/20 0.71
DRD3 P35462 2/20 0.71
OPRK1 P41145 2/20 0.71
HTR2B P41595 2/20 0.71
KCNH2 Q12809 2/20 0.71
KLF10 Q13118 2/20 0.71
HRH3 Q9Y5N1 2/20 0.71
KMT2A Q03164 2/20 0.71

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
SCHEMBL30501482 1.00 SLC6A4 (0.71) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
SCHEMBL8082370 1.00 SLC6A4 (0.71) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL4625001 0.99 SLC6A2 (0.71) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
Oxalic Acid SCHEMBL4623443 0.95 SLC6A4 (0.64) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
SCHEMBL9347671 0.84 SLC6A4 (0.75) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
SCHEMBL9348316 0.84 SLC6A4 (0.75) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
SCHEMBL9347628 0.84 SLC6A4 (0.75) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
SCHEMBL6823348 0.84 NOS2 (0.50) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
SCHEMBL12841456 0.84 NOS2 (0.50) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
SCHEMBL2738780 0.84 SLC6A2 (0.79) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379492-B1 INHIBITOR OF MONOAMINE UPTAKE LILLY CO ELI (US) 2008-05-21 EP claimed
US-20210401790-A1 METHODS AND COMPOSITIONS FOR TREATING SLEEP APNEA APNIMED, INC. (DELAWARE) 2021-12-30 US disclosed
WO-2012020418-A1 NOVEL POLYMORPHS OF 4-HYDROXY ATOMOXETINE HYDROCHLORIDE MATRIX LABORATORIES LTD (IN) 2012-02-16 WO disclosed
WO-2011027359-A2 NOVEL PROCESS FOR THE PREPARATION OF 4-HYDROXY ATOMOXETINE MATRIX LABORATORIES LTD (IN) 2011-03-10 WO disclosed
US-7384983-B2 Inhibitor of monoamine uptake ELI LILLY AND COMPANY (US) 2008-06-10 US disclosed
US-7384983-B2 Inhibitor of monoamine uptake ELI LILLY AND COMPANY (US) 2008-06-10 US disclosed
US-7384983-B2 Inhibitor of monoamine uptake ELI LILLY AND COMPANY (US) 2008-06-10 US disclosed
EP-1379492-B1 INHIBITOR OF MONOAMINE UPTAKE LILLY CO ELI (US) 2008-05-21 EP disclosed
EP-1379492-B1 INHIBITOR OF MONOAMINE UPTAKE LILLY CO ELI (US) 2008-05-21 EP disclosed
US-20050209341-A1 Inhibitor of monoamine uptake MATTIUZ EDWARD L 2005-09-22 US disclosed
US-20040082666-A1 Inhibitor of monoamine uptake MATTIUZ EDWARD LOUIS (US) 2004-04-29 US disclosed
EP-1379492-A1 INHIBITOR OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2004-01-14 EP disclosed
WO-2002070457-A1 INHIBITOR OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2002-09-12 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 (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-20040082666-A1 Inhibitor of monoamine uptake SLC18A2, SLC6A2, SLC18A3 SLC6A4 4/4885SLC6A2 2/4885CYP1A2 376/4885
US-20050209341-A1 Inhibitor of monoamine uptake SLC18A2, SLC6A2, SLC18A3 SLC6A4 4/4885SLC6A2 2/4885CYP1A2 376/4885
US-20210401790-A1 METHODS AND COMPOSITIONS FOR TREATING SLEEP APNEA HCRTR2, CHRM3, CHRM2 SLC6A4 193/4885SLC6A2 164/4885CYP1A2 135/4885

“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.