SCHEMBL3458

SCHEMBL3458

CN(C)CCC(Oc1cccc2ccccc12)c1ccsc1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.71
SLC6A4 P31645 8/20 0.71
HTR1A P08908 1/20 0.58
HTR1D P28221 1/20 0.58
CACNA2D1 P54289 8/20 0.54
HTR1B P28222 3/20 0.47

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
Oxalic Acid SCHEMBL3562 0.93 SLC6A2 (0.63) SLC6A2SLC6A4HTR1AHTR1DCACNA2D1
SCHEMBL9995405 0.84 SLC6A4 (0.67) SLC6A2SLC6A4CACNA2D1HTR1B
Bromide SCHEMBL6726247 0.83 SLC6A4 (0.65) SLC6A2SLC6A4CACNA2D1HTR1B
SCHEMBL3967638 0.83 SLC6A4 (1.00) SLC6A2SLC6A4HTR1ACACNA2D1
SCHEMBL3359634 0.83 SLC6A4 (1.00) SLC6A2SLC6A4HTR1ACACNA2D1
SCHEMBL15113755 0.82 SLC6A2 (0.55) SLC6A2SLC6A4HTR1AHTR1DCACNA2D1
Hydrochloric Acid SCHEMBL4413256 0.82 SLC6A4 (0.98) SLC6A2SLC6A4HTR1ACACNA2D1
SCHEMBL15113751 0.81 SLC6A2 (0.53) SLC6A2SLC6A4HTR1AHTR1DCACNA2D1
SCHEMBL23125446 0.79 SLC6A2 (0.54) SLC6A2SLC6A4HTR1AHTR1DCACNA2D1
SCHEMBL3592 0.79 CACNA2D1 (0.76) SLC6A2SLC6A4HTR1ACACNA2D1HTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207923-A1 Pure DNT-maleate and methods of preparation thereof TEVA PHARMACEUTICALS USA, INC. 2008-08-28 US claimed
US-20070281989-A1 Process for preparing duloxetine and intermediates thereof TEVA PHARMACEUTICALS USA, INC. 2007-12-06 US claimed
WO-2013088255-A1 PRODRUGS OF SECONDARY AMINE COMPOUNDS ALKERMES PHARMA IRELAND LIMITED (IE) 2013-06-20 WO disclosed
EP-1976846-A2 PROCESS FOR PREPARING DULOXETINE AND INTERMEDIATES THEREOF Teva Pharmaceutical Industries Ltd (IL) 2008-10-08 EP disclosed
US-20080207923-A1 Pure DNT-maleate and methods of preparation thereof TEVA PHARMACEUTICALS USA, INC. 2008-08-28 US disclosed
WO-2007143065-A2 PROCESS FOR PREPARING DULOXETINE AND INTERMEDIATES THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-12-13 WO disclosed
US-20070281989-A1 Process for preparing duloxetine and intermediates thereof TEVA PHARMACEUTICALS USA, INC. 2007-12-06 US disclosed
US-5023269-A 3-aryloxy-3-substituted propanamines ELI LILLY AND COMPANY (US) 1991-06-11 US disclosed
EP-0273658-B1 3-ARYLOXY-3-SUBSTITUTED PROPANAMINES ELI LILLY AND COMPANY (US) 1990-10-31 EP disclosed
US-4956388-A ANTIDEPRESSANTS, ANTIANXIETY, TREATMENT OF OBESITY, ADDICTION TO SMOKING AND ALCOHOL ELI LILLY AND COMPANY (US) 1990-09-11 US disclosed
EP-0273658-A1 3-Aryloxy-3-substituted propanamines ELI LILLY AND COMPANY (US) 1988-07-06 EP 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-20080207923-A1 Pure DNT-maleate and methods of preparation thereof DNTT, NCDN, AANAT SLC6A2 24/4885SLC6A4 6/4885HTR1A 61/4885
US-20070281989-A1 Process for preparing duloxetine and intermediates thereof UGT1A4, CYP3A4, CYP4B1 SLC6A2 105/4885SLC6A4 60/4885HTR1A 51/4885

“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.