SCHEMBL4448693

SCHEMBL4448693

CN(CCC(Oc1cccc2ccccc12)c1cccs1)Cc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.63
SLC6A4 P31645 8/20 0.63
SLC6A3 Q01959 7/20 0.63
HTR1A P08908 2/20 0.62
MLNR O43193 1/20 0.62
CACNA1F O60840 1/20 0.62
CYP1A2 P05177 1/20 0.62
ADRB1 P08588 1/20 0.62
CYP3A4 P08684 1/20 0.62
GAA P10253 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
DRD2 P14416 1/20 0.62
KCNE1 P15382 1/20 0.62
ADRA2B P18089 1/20 0.62
ADRA2C P18825 1/20 0.62
HTR2A P28223 1/20 0.62
HTR2C P28335 1/20 0.62
MC4R P32245 1/20 0.62
CYP2C19 P33261 1/20 0.62

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
SCHEMBL4438961 1.00 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3HTR1AMLNR
Fumaric Acid SCHEMBL15234398 0.92 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3HTR1AMLNR
Maleic Acid SCHEMBL4442487 0.92 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3HTR1AMLNR
Fumaric Acid SCHEMBL15234399 0.92 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3HTR1AMLNR
SCHEMBL12745040 0.88 SLC6A2 (0.67) SLC6A2SLC6A4SLC6A3HTR1AMLNR
SCHEMBL3592 0.86 CACNA2D1 (0.76) SLC6A2SLC6A4SLC6A3HTR1AMLNR
SCHEMBL29420217 0.86 CACNA2D1 (0.76) SLC6A2SLC6A4SLC6A3HTR1AMLNR
SCHEMBL12342733 0.86 CACNA2D1 (0.76) SLC6A2SLC6A4SLC6A3HTR1AMLNR
SCHEMBL521869 0.86 CACNA2D1 (0.76) SLC6A2SLC6A4SLC6A3HTR1AMLNR
SCHEMBL521176 0.86 CACNA2D1 (0.76) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125772-B1 A PROCESS FOR THE PREPARATION OF DULOXETIN AND NEW KEY INTERMEDIATES FOR USE THEREIN RICHTER GEDEON NYRT (HU) 2013-09-11 EP claimed
CN-103896910-B A kind of synthetic method of duloxetine CHENGDU GUOHONG MEDICINE CO., LTD. (CN) 2016-02-03 CN disclosed
CN-103896910-A Synthetic method of duloxetine CHENGDU GUOHONG PHARMACEUTICAL CO LTD 2014-07-02 CN disclosed
EP-2125772-B1 A PROCESS FOR THE PREPARATION OF DULOXETIN AND NEW KEY INTERMEDIATES FOR USE THEREIN RICHTER GEDEON NYRT (HU) 2013-09-11 EP disclosed
EP-2125772-A1 A PROCESS FOR THE PREPARATION OF DULOXETIN AND NEW KEY INTERMEDIATES FOR USE THEREIN Richter Gedeon NYRT (HU) 2009-12-02 EP disclosed
US-7550605-B2 Process for preparation of an anitdepressant compound SUN PHARMACEUTICAL INDUSTRIES LTD. (IN) 2009-06-23 US disclosed
US-7550605-B2 Process for preparation of an anitdepressant compound SUN PHARMACEUTICAL INDUSTRIES LTD. (IN) 2009-06-23 US disclosed
WO-2008078124-A1 A PROCESS FOR THE PREPARATION OF DULOXETIN AND NEW KEY INTERMEDIATES FOR USE THEREIN RICHTER GEDEON NYRT. (HU) 2008-07-03 WO disclosed
US-20070191616-A1 Process for preparation of an antidepressant compound SUN PHAMACEUUTICAL INDUSTRIES LTD. (IN) 2007-08-16 US disclosed
US-20070191616-A1 Process for preparation of an antidepressant compound SUN PHAMACEUUTICAL INDUSTRIES LTD. (IN) 2007-08-16 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 (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-20070191616-A1 Process for preparation of an antidepressant compound TPH1, TPH2, HTR4 SLC6A2 13/4885SLC6A4 5/4885SLC6A3 34/4885

“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.