SCHEMBL4397153

SCHEMBL4397153

CC(NC(=O)[C@@]1(c2ccccc2)C[C@H]1CO)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.48
SLC6A2 P23975 2/20 0.47
HPGD P15428 2/20 0.46
LMNA P02545 2/20 0.46
EPHX2 P34913 1/20 0.46
SLC6A4 P31645 1/20 0.45
USP2 O75604 1/20 0.44
ALOX15 P16050 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SLC6A3 Q01959 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
MME P08473 1/20 0.43
EPHX1 P07099 2/20 0.42
NPC1 O15118 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL17735432 0.78 SLC6A4 (0.56) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL13835445 0.77 SLC6A2 (0.47) SLC6A2HPGDSLC6A4SLC6A3ALDH1A1
SCHEMBL3745674 0.75 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL16252050 0.75 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL3745740 0.75 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL13835677 0.75 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL6023093 0.75 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL5790811 0.75 SIGMAR1 (0.61)
SCHEMBL2477280 0.74 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL2475580 0.72 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120289744-A1 PROCESS FOR PREPARING OPTICALLY PURE MILNACIPRAN AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS ARCH PHARMALABS LIMITED (IN) 2012-11-15 US disclosed
US-20120289744-A1 PROCESS FOR PREPARING OPTICALLY PURE MILNACIPRAN AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS ARCH PHARMALABS LIMITED (IN) 2012-11-15 US disclosed
WO-2012059933-A1 A NEW PROCESS FOR PREPARING OPTICALLY PURE MILNACIPRAN AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS. ARCH PHARMALABS LIMITED (IN) 2012-05-10 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-20120289744-A1 PROCESS FOR PREPARING OPTICALLY PURE MILNACIPRAN AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS SLCO1B3, SLCO4C1, SLCO1B1 RECQL 2144/4885SLC6A2 364/4885HPGD 1229/4885

“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.