SCHEMBL2600189

SCHEMBL2600189

CNCC[C@@H](Oc1ccc2ccccc2c1)c1cccs1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 14/20 0.75
SLC6A2 P23975 10/20 0.65
SLC6A4 P31645 6/20 0.65
SLC6A3 Q01959 6/20 0.65
MLNR O43193 1/20 0.65
CACNA1F O60840 1/20 0.65
CYP1A2 P05177 1/20 0.65
ADRB1 P08588 1/20 0.65
CYP3A4 P08684 1/20 0.65
HTR1A P08908 1/20 0.65
GAA P10253 1/20 0.65
CYP2D6 P10635 1/20 0.65
CYP2C9 P11712 1/20 0.65
DRD2 P14416 1/20 0.65
KCNE1 P15382 1/20 0.65
ADRA2B P18089 1/20 0.65
ADRA2C P18825 1/20 0.65
HTR2A P28223 1/20 0.65
HTR2C P28335 1/20 0.65
MC4R P32245 1/20 0.65

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
SCHEMBL13476291 1.00 CACNA2D1 (0.75) CACNA2D1SLC6A2SLC6A4SLC6A3MLNR
SCHEMBL2600193 1.00 CACNA2D1 (0.75) CACNA2D1SLC6A2SLC6A4SLC6A3MLNR
Hydrochloric Acid SCHEMBL2587 0.99 CACNA2D1 (0.73) CACNA2D1SLC6A2SLC6A4SLC6A3MLNR
SCHEMBL20292630 0.87 CACNA2D1 (0.94) CACNA2D1SLC6A2SLC6A4SLC6A3MLNR
SCHEMBL23521652 0.86 CACNA2D1 (0.67) CACNA2D1SLC6A2SLC6A4SLC6A3MLNR
SCHEMBL21742715 0.86 CACNA2D1 (0.67) CACNA2D1SLC6A2SLC6A4SLC6A3MLNR
SCHEMBL20292670 0.86 CACNA2D1 (1.00) CACNA2D1SLC6A2SLC6A4SLC6A3MLNR
SCHEMBL20292671 0.86 CACNA2D1 (1.00) CACNA2D1SLC6A2SLC6A4SLC6A3MLNR
SCHEMBL20292579 0.85 CACNA2D1 (0.84) CACNA2D1SLC6A2SLC6A4SLC6A3MLNR
SCHEMBL21742806 0.85 CACNA2D1 (0.84) CACNA2D1SLC6A2SLC6A4SLC6A3MLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095239-A1 A PROCESS FOR THE PREPARATION OF DULOXETINE HYDROCHLORIDE ALEMBIC PHARMACEUTICALS LIMITED (IN) 2012-04-19 US disclosed
US-20120095239-A1 A PROCESS FOR THE PREPARATION OF DULOXETINE HYDROCHLORIDE ALEMBIC PHARMACEUTICALS LIMITED (IN) 2012-04-19 US disclosed
US-20110275836-A1 PROCESS FOR THE PREPARATION OF DULOXETINE AND SALTS THEREOF ALEMBIC PHARMACEUTICALS LIMITED (IN) 2011-11-10 US disclosed
US-20110275836-A1 PROCESS FOR THE PREPARATION OF DULOXETINE AND SALTS THEREOF ALEMBIC PHARMACEUTICALS LIMITED (IN) 2011-11-10 US disclosed
WO-2010103443-A1 A PROCESS FOR THE PREPARATION OF DULOXETINE HYDROCHLORIDE ALEMBIC LIMITED (IN) 2010-09-16 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 (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-20120095239-A1 A PROCESS FOR THE PREPARATION OF DULOXETINE HYDROCHLORIDE HTR5A, BDNF, CYP3A5 CACNA2D1 1788/4885SLC6A2 5/4885SLC6A4 6/4885
US-20110275836-A1 PROCESS FOR THE PREPARATION OF DULOXETINE AND SALTS THEREOF BDNF, SLC6A4, SLC6A2 CACNA2D1 2225/4885SLC6A2 3/4885SLC6A4 2/4885

“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.