SCHEMBL5527451

SCHEMBL5527451

CC(=O)[C@]1(c2ccccc2)C[C@@H]1CN

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 19/20 0.67
SLC6A4 P31645 16/20 0.67
SLC6A3 Q01959 6/20 0.67
CYP2D6 P10635 1/20 0.67
HTR2C P28335 1/20 0.67
KDM4E B2RXH2 1/20 0.65
MAPK1 P28482 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
SCHEMBL12694069 0.86 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
SCHEMBL14143440 0.86 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
SCHEMBL15433976 0.86 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
SCHEMBL14338223 0.85 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
SCHEMBL3422142 0.85 SLC6A2 (0.66) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
SCHEMBL16252050 0.85 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
SCHEMBL12459423 0.85 SLC6A2 (0.66) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
SCHEMBL15433977 0.83 SLC6A2 (0.64) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
SCHEMBL12702959 0.80 SLC6A4 (0.73) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
SCHEMBL14427970 0.80 SLC6A2 (0.63) 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 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
US-20120122874-A1 COMBINATION OF A SEDATIVE AND A NEUROTRANSMITTER MODULATOR, AND METHODS FOR TREATING DEPRESSION Sunovion Inc. (US) 2012-05-17 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 (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-20120289744-A1 PROCESS FOR PREPARING OPTICALLY PURE MILNACIPRAN AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS SLCO1B3, SLCO4C1, SLCO1B1 SLC6A2 364/4885SLC6A4 150/4885SLC6A3 255/4885
US-20120122874-A1 COMBINATION OF A SEDATIVE AND A NEUROTRANSMITTER MODULATOR, AND METHODS FOR TREATING DEPRESSION HTR2A, HTR5A, HTR2C SLC6A2 33/4885SLC6A4 65/4885SLC6A3 69/4885

“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.