SCHEMBL6025372

SCHEMBL6025372

CCN(CC)C(=O)C1(c2ccc(O)cc2)CC1CN

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.78
SLC6A4 P31645 7/20 0.78
SLC6A3 Q01959 3/20 0.78
CYP2D6 P10635 1/20 0.78
HTR2C P28335 1/20 0.78
KDM4E B2RXH2 1/20 0.76
MAPK1 P28482 1/20 0.76

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
Levomilnacipran SCHEMBL12027608 0.87 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
Milnacipran SCHEMBL114034 0.87 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
1R,2S-Milnacipran SCHEMBL30083111 0.87 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
1R,2S-Milnacipran SCHEMBL5504533 0.87 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
1R,2S-Milnacipran SCHEMBL8099 0.87 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
Levomilnacipran SCHEMBL1707471 0.87 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
Levomilnacipran SCHEMBL1414867 0.87 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
1R,2S-Milnacipran SCHEMBL16241424 0.86 SLC6A2 (0.97) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
1R,2S-Milnacipran SCHEMBL6061484 0.86 SLC6A2 (0.97) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
Milnacipran SCHEMBL1156056 0.86 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE43879-E1 Use of the dextrogyral enantiomer of milnacipran for the preparation of a drug PIERRE FABRE MEDICAMENT (FR) 2012-12-25 US disclosed
EP-1485078-B1 Milnacipran for the treatment of irritable bowel syndrome CYPRESS BIOSCIENCE INC (US) 2012-09-26 EP disclosed
EP-1578719-A4 STEREOISOMERS OF P-HYDROXY-MILNACIPRAN, AND METHODS OF USE THEREOF COLLEGIUM PHARMACEUTICAL INC (US) 2006-07-05 EP disclosed
US-7038085-B2 Stereoisomers of p-hydroxy-milnacipran, and methods of use thereof COLLEGIUM PHARMACEUTICAL, INC. (US) 2006-05-02 US disclosed
EP-1578719-A2 STEREOISOMERS OF P-HYDROXY-MILNACIPRAN, AND METHODS OF USE THEREOF Collegium Pharmaceutical, Inc. (US) 2005-09-28 EP disclosed
US-20040142904-A1 Stereoisomers of p-hydroxy-milnacipran, and methods of use thereof COLLEGIUM PHARMACEUTICAL INC. 2004-07-22 US disclosed
WO-2004039320-A2 STEREOISOMERS OF p-HYDROXY-MILNACIPRAN, AND METHODS OF USE THEREOF COLLEGIUM PHARMACEUTICAL, INC. (US) 2004-05-13 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-20040142904-A1 Stereoisomers of p-hydroxy-milnacipran, and methods of use thereof SLC6A2, SLC6A4, OPRL1 SLC6A2 1/4885SLC6A4 2/4885SLC6A3 10/4885

“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.