SCHEMBL4402453

SCHEMBL4402453

N#C[C@]1(c2ccccc2)C[C@@H]1CO

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.36
MAOB P27338 8/20 0.35
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
OPRM1 P35372 2/20 0.34
OPRD1 P41143 1/20 0.34
MAOA P21397 3/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL13224856 1.00 PTGS2 (0.36) PTGS2MAOBHTR2AHTR2CHTR2B
SCHEMBL13224854 1.00 PTGS2 (0.36) PTGS2MAOBHTR2AHTR2CHTR2B
SCHEMBL8927314 1.00 PTGS2 (0.36) PTGS2MAOBHTR2AHTR2CHTR2B
SCHEMBL13224837 1.00 PTGS2 (0.36) PTGS2MAOBHTR2AHTR2CHTR2B
SCHEMBL6003460 0.83 OPRM1 (0.37) MAOBOPRM1MAOA
SCHEMBL6003710 0.83 OPRM1 (0.37) MAOBOPRM1MAOA
SCHEMBL13224947 0.83 OPRM1 (0.37) MAOBOPRM1MAOA
SCHEMBL4080962 0.83 OPRM1 (0.37) MAOBOPRM1MAOA
SCHEMBL11133978 0.82 HTR2C (0.36) MAOBHTR2AHTR2CHTR2BOPRM1
SCHEMBL28468651 0.82 HTR2C (0.50) MAOBHTR2AHTR2CHTR2B

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 4 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
US-20100204486-A1 Process for the Synthesis of (+)and (-)-1 Aryl-3-Azabicyclo(3.1.0) Hexanes MERCK & CO., INC. (US) 2010-08-12 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 PTGS2 3157/4885MAOB 634/4885HTR2A 949/4885
US-20100204486-A1 Process for the Synthesis of (+)and (-)-1 Aryl-3-Azabicyclo(3.1.0) Hexanes ADH1C, AVPR1B, HTR1B PTGS2 3409/4885MAOB 14/4885HTR2A 157/4885

“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.