SCHEMBL3344733

SCHEMBL3344733

CN(C)CC[C@H](Oc1cccc2ccccc12)c1cccs1.Cc1ccc(C(=O)OC(C(=O)O)C(OC(=O)c2ccc(C)cc2)C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 6/20 0.54
SLC6A2 P23975 10/20 0.50
SLC6A4 P31645 10/20 0.50
SLC6A3 Q01959 8/20 0.50
HTR1A P08908 2/20 0.50
MLNR O43193 1/20 0.50
CACNA1F O60840 1/20 0.50
CYP1A2 P05177 1/20 0.50
ADRB1 P08588 1/20 0.50
CYP3A4 P08684 1/20 0.50
GAA P10253 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
DRD2 P14416 1/20 0.50
KCNE1 P15382 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
MC4R P32245 1/20 0.50

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
SCHEMBL5507830 1.00 CACNA2D1 (0.54) CACNA2D1SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL3310373 0.95 CACNA2D1 (0.58) CACNA2D1SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL3316415 0.95 CACNA2D1 (0.58) CACNA2D1SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL4442636 0.95 CACNA2D1 (0.58) CACNA2D1SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL3312396 0.92 CACNA2D1 (0.53) CACNA2D1SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL3314335 0.92 CACNA2D1 (0.53) CACNA2D1SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL3312477 0.92 CACNA2D1 (0.53) CACNA2D1SLC6A2SLC6A4SLC6A3HTR1A
Oxalic Acid SCHEMBL1535363 0.84 CACNA2D1 (0.67) CACNA2D1SLC6A2SLC6A4SLC6A3HTR1A
Oxalic Acid SCHEMBL2740 0.84 CACNA2D1 (0.67) CACNA2D1SLC6A2SLC6A4SLC6A3HTR1A
Oxalic Acid SCHEMBL3312526 0.84 CACNA2D1 (0.67) CACNA2D1SLC6A2SLC6A4SLC6A3HTR1A

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
EP-2132192-B1 NOVEL PROCESS FOR PREPARATION OF DULOXETINE HYDROCHLORIDE LUPIN LTD (IN) 2013-04-24 EP disclosed
US-8269023-B2 Process for preparation of duloxetine hydrochloride LUPIN LTD. (IN) 2012-09-18 US disclosed
US-20100105925-A1 NOVEL PROCESS FOR PREPARATION OF DULOXETINE HYDROCHLORIDE LUPIN LIMITED (IN) 2010-04-29 US disclosed
EP-2132192-A2 NOVEL PROCESS FOR PREPARATION OF DULOXETINE HYDROCHLORIDE Lupin Limited (IN) 2009-12-16 EP disclosed
WO-2008107911-A2 NOVEL PROCESS FOR PREPARATION OF DULOXETINE HYDROCHLORIDE LUPIN LIMITED (IN) 2008-09-12 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 (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-20100105925-A1 NOVEL PROCESS FOR PREPARATION OF DULOXETINE HYDROCHLORIDE MAOA, SLC6A3, PNMT CACNA2D1 741/4885SLC6A2 19/4885SLC6A4 16/4885

“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.