SCHEMBL690970

SCHEMBL690970

CN(O)CCC(Oc1cccc2ccccc12)c1cccs1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.68
SLC6A4 P31645 10/20 0.68
SLC6A3 Q01959 9/20 0.68
HTR1A P08908 2/20 0.67
MLNR O43193 1/20 0.67
CACNA1F O60840 1/20 0.67
CYP1A2 P05177 1/20 0.67
ADRB1 P08588 1/20 0.67
CYP3A4 P08684 1/20 0.67
GAA P10253 1/20 0.67
CYP2D6 P10635 1/20 0.67
CYP2C9 P11712 1/20 0.67
DRD2 P14416 1/20 0.67
KCNE1 P15382 1/20 0.67
ADRA2B P18089 1/20 0.67
ADRA2C P18825 1/20 0.67
HTR2A P28223 1/20 0.67
HTR2C P28335 1/20 0.67
MC4R P32245 1/20 0.67
CYP2C19 P33261 1/20 0.67

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
SCHEMBL12719855 1.00 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3HTR1AMLNR
SCHEMBL521869 0.90 CACNA2D1 (0.76) SLC6A2SLC6A4SLC6A3HTR1AMLNR
SCHEMBL3592 0.90 CACNA2D1 (0.76) SLC6A2SLC6A4SLC6A3HTR1AMLNR
SCHEMBL521176 0.90 CACNA2D1 (0.76) SLC6A2SLC6A4SLC6A3HTR1AMLNR
SCHEMBL29420217 0.90 CACNA2D1 (0.76) SLC6A2SLC6A4SLC6A3HTR1AMLNR
SCHEMBL12342733 0.90 CACNA2D1 (0.76) SLC6A2SLC6A4SLC6A3HTR1AMLNR
Hydrochloric Acid SCHEMBL3358201 0.89 CACNA2D1 (0.74) SLC6A2SLC6A4SLC6A3HTR1AMLNR
Hydrochloric Acid SCHEMBL3280673 0.89 CACNA2D1 (0.74) SLC6A2SLC6A4SLC6A3HTR1AMLNR
SCHEMBL692061 0.88 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3HTR1AMLNR
SCHEMBL12945635 0.88 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3HTR1AMLNR

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8614336-B2 Process for preparing N-methyl-N-hydroxyl-3-(1-naphthyloxy)-3-(2-thienyl)propylamine derivative SCI PHARMTECH, INC. (TW) 2013-12-24 US claimed
US-8148549-B2 Preparation of (S)-(+)-N-methyl-3-(1-naphthyloxy)-3-(2-thienyl) propylamine using optically active methylhydroxylaminopropanol compound as an intermediate SCI PHARMTECH, INC. (TW) 2012-04-03 US claimed
EP-2228372-B1 Process for Preparing (S)-(+)-N-Methyl-3-(1-Naphthyloxy)-3-(2-Thienyl-Propylamine by using Optically Active Methylhydroxylaminopropanol Compound as an Intermediate SCI PHARMATECH INC (TW) 2012-02-29 EP claimed
US-20100234620-A1 PROCESS FOR PREPARING N-METHYL-N-HYDROXYL-3-(1-NAPHTHYLOXY)-3-(2-THIENYL)PROPYLAMINE DERIVATIVE SCI PHARMTECH, INC. (TW) 2010-09-16 US claimed
US-20100234619-A1 PREPARATION OF (S)-(+)-N-METHYL-3-(1-NAPHTHYLOXY)-3-(2-THIENYL) PROPYLAMINE USING OPTICALLY ACTIVE METHYLHYDROXYLAMINOPROPANOL DERIVATIVE AS AN INTERMEDIATE SCI PHARMTECH, INC. (TW) 2010-09-16 US claimed
EP-2228372-A1 Process for Preparing (S)-(+)-N-Methyl-3-(1-Naphthyloxy)-3-(2-Thienyl-Propylamine by using Optically Active Methylhydroxylaminopropanol Compound as an Intermediate SCI Pharmatech, Inc. (TW) 2010-09-15 EP claimed
US-8614336-B2 Process for preparing N-methyl-N-hydroxyl-3-(1-naphthyloxy)-3-(2-thienyl)propylamine derivative SCI PHARMTECH, INC. (TW) 2013-12-24 US disclosed
US-8614336-B2 Process for preparing N-methyl-N-hydroxyl-3-(1-naphthyloxy)-3-(2-thienyl)propylamine derivative SCI PHARMTECH, INC. (TW) 2013-12-24 US disclosed
US-8614336-B2 Process for preparing N-methyl-N-hydroxyl-3-(1-naphthyloxy)-3-(2-thienyl)propylamine derivative SCI PHARMTECH, INC. (TW) 2013-12-24 US disclosed
US-8148549-B2 Preparation of (S)-(+)-N-methyl-3-(1-naphthyloxy)-3-(2-thienyl) propylamine using optically active methylhydroxylaminopropanol compound as an intermediate SCI PHARMTECH, INC. (TW) 2012-04-03 US disclosed
EP-2228372-B1 Process for Preparing (S)-(+)-N-Methyl-3-(1-Naphthyloxy)-3-(2-Thienyl-Propylamine by using Optically Active Methylhydroxylaminopropanol Compound as an Intermediate SCI PHARMATECH INC (TW) 2012-02-29 EP disclosed
US-7928250-B2 Reduction; condensation SYNTHON BV (NL) 2011-04-19 US disclosed
US-7928250-B2 Reduction; condensation SYNTHON BV (NL) 2011-04-19 US disclosed
US-20100234620-A1 PROCESS FOR PREPARING N-METHYL-N-HYDROXYL-3-(1-NAPHTHYLOXY)-3-(2-THIENYL)PROPYLAMINE DERIVATIVE SCI PHARMTECH, INC. (TW) 2010-09-16 US disclosed
US-20100234620-A1 PROCESS FOR PREPARING N-METHYL-N-HYDROXYL-3-(1-NAPHTHYLOXY)-3-(2-THIENYL)PROPYLAMINE DERIVATIVE SCI PHARMTECH, INC. (TW) 2010-09-16 US disclosed
EP-2228372-A1 Process for Preparing (S)-(+)-N-Methyl-3-(1-Naphthyloxy)-3-(2-Thienyl-Propylamine by using Optically Active Methylhydroxylaminopropanol Compound as an Intermediate SCI Pharmatech, Inc. (TW) 2010-09-15 EP disclosed
EP-2228372-A1 Process for Preparing (S)-(+)-N-Methyl-3-(1-Naphthyloxy)-3-(2-Thienyl-Propylamine by using Optically Active Methylhydroxylaminopropanol Compound as an Intermediate SCI Pharmatech, Inc. (TW) 2010-09-15 EP disclosed
US-20080171887-A1 Process for making duloxetine and related compounds SYNTHON BV (NL) 2008-07-17 US disclosed
US-20080171887-A1 Process for making duloxetine and related compounds SYNTHON BV (NL) 2008-07-17 US disclosed
WO-2008077645-A1 PROCESS FOR MAKING DULOXETINE AND RELATED COMPOUNDS SYNTHON B.V. (NL) 2008-07-03 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-20080171887-A1 Process for making duloxetine and related compounds UGT1A10, UGT1A4, UGT1A6 SLC6A2 33/4885SLC6A4 16/4885SLC6A3 52/4885
US-20100234620-A1 PROCESS FOR PREPARING N-METHYL-N-HYDROXYL-3-(1-NAPHTHYLOXY)-3-(2-THIENYL)PROPYLAMINE DERIVATIVE PNMT, NNMT, HNMT SLC6A2 106/4885SLC6A4 107/4885SLC6A3 69/4885
US-20100234619-A1 PREPARATION OF (S)-(+)-N-METHYL-3-(1-NAPHTHYLOXY)-3-(2-THIENYL) PROPYLAMINE USING OPTICALLY ACTIVE METHYLHYDROXYLAMINOPROPANOL DERIVATIVE AS AN INTERMEDIATE PNMT, HNMT, BHMT2 SLC6A2 207/4885SLC6A4 276/4885SLC6A3 196/4885

“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.