SCHEMBL2116916

SCHEMBL2116916

O=C1OC[C@@H]2C[C@]12c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 2/20 0.36
MAOB P27338 6/20 0.34
MAOA P21397 3/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
MEN1 O00255 1/20 0.33
CYP2C9 P11712 1/20 0.33
KMT2A Q03164 1/20 0.33
GRM1 Q13255 1/20 0.33
LMNA P02545 1/20 0.33
CACNA1F O60840 1/20 0.33
AR P10275 1/20 0.33
PDE4A P27815 1/20 0.33
SCN1A P35498 1/20 0.33
SCN4A P35499 1/20 0.33
SCN7A Q01118 1/20 0.33
CACNA1D Q01668 1/20 0.33
KCNH2 Q12809 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
SCHEMBL4404026 1.00 MAPK1 (0.40) MAPK1SMN1; SMN2ALDH1A1MAOBMAOA
SCHEMBL21153824 1.00 MAPK1 (0.40) MAPK1SMN1; SMN2ALDH1A1MAOBMAOA
SCHEMBL1286642 1.00 MAPK1 (0.40) MAPK1SMN1; SMN2ALDH1A1MAOBMAOA
SCHEMBL6023016 0.84 CXCR3 (0.35) MAPK1SMN1; SMN2ALDH1A1MAOBMAOA
SCHEMBL2478791 0.82 SLC6A2 (0.40) SMN1; SMN2MAOBMAOAKCNH2HSD11B1
SCHEMBL2481548 0.82 MAOB (0.38) MAPK1ALDH1A1MAOBMAOAMEN1
SCHEMBL2477286 0.82 MAOB (0.38) MAPK1ALDH1A1MAOBMAOAMEN1
SCHEMBL2481090 0.82 MAOB (0.39) MAOBMAOAMEN1KMT2AHSD11B1
SCHEMBL2482801 0.82 MAOB (0.39) MAOBMAOAMEN1KMT2AHSD11B1
SCHEMBL10992027 0.82 SLC6A2 (0.40) SMN1; SMN2MAOBMAOAKCNH2HSD11B1

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 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2805936-A1 Process for preparing levomilnacipran HCL Cosma S.p.A. (IT) 2014-11-26 EP claimed
US-20140343322-A1 PROCESS FOR PREPARING LEVOMILNACIPRAN HCL COSMA S.P.A. (IT) 2014-11-20 US claimed
CN-115304568-B Asymmetric synthesis method of 6-azidomethylene-1-aryl-3-oxabicyclo [3,1,0] hex-2-one 扬州大学 2024-03-26 CN disclosed
CN-115304568-A Asymmetric synthesis method of 6-azidomethylene-1-aryl-3-oxabicyclo [3,1,0] hexan-2-ketone 扬州大学 2022-11-08 CN disclosed
US-11008596-B2 Cytochrome P450 BM3 enzyme variants for preparation of cyclopropanes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2021-05-18 US disclosed
US-11008596-B2 Cytochrome P450 BM3 enzyme variants for preparation of cyclopropanes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2021-05-18 US disclosed
US-20190211367-A1 VIVO AND IN VITRO OLEFIN CYCLOPROPANATION CATALYZED BY HEME ENZYMES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2019-07-11 US disclosed
EP-3230258-B1 PROCESS FOR THE PREPARATION OF (1S,2R)-MILNACIPRAN QUIM SINTETICA S A (ES) 2019-06-26 EP disclosed
EP-3230258-B1 PROCESS FOR THE PREPARATION OF (1S,2R)-MILNACIPRAN QUIM SINTETICA S A (ES) 2019-06-26 EP disclosed
US-10208322-B2 In vivo and in vitro olefin cyclopropanation catalyzed by heme enzymes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2019-02-19 US disclosed
US-10131624-B2 Process for the preparation of (1S,2R)-Milnacipran QUIMICA SINTETICA, S.A. (ES) 2018-11-20 US disclosed
WO-2011158249-A1 PROCESS FOR PREPARATION OF MILNACIPRAN INTERMEDIATE AND ITS USE IN PREPARATION OF PURE MILNACIPRAN GLENMARK GENERICS LIMITED (IN) 2011-12-22 WO disclosed
WO-2011158249-A1 PROCESS FOR PREPARATION OF MILNACIPRAN INTERMEDIATE AND ITS USE IN PREPARATION OF PURE MILNACIPRAN GLENMARK GENERICS LIMITED (IN) 2011-12-22 WO disclosed
US-20110295036-A1 METHOD FOR SYNTHESIS OF (1S, 2R)-MILNACIPRAN PIERRE FABRE MEDICAMENT (FR) 2011-12-01 US disclosed
US-20110295036-A1 METHOD FOR SYNTHESIS OF (1S, 2R)-MILNACIPRAN PIERRE FABRE MEDICAMENT (FR) 2011-12-01 US disclosed
EP-1656349-B1 CYCLOPROPYL DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS LUNDBECK & CO AS H (DK) 2011-10-12 EP disclosed
US-7834008-B2 neurokinin receptor 3 (NK3) antagonists; psychological disorders, inflammatory bowel disease, asthma, ischemia, Parkinson's disease; e.g. (1S,2R)-2-(4-Acetylamino-4-phenyl-piperidin-1-ylmethyl)-1-(3,4-dichlorophenyl)-cyclopropanecarboxylic acid, benzyl-methyl-amide H. LUNDBECK A/S (DK) 2010-11-16 US disclosed
WO-2010086394-A1 METHOD FOR SYNTHESIS OF (1S, 2R)-MILNACIPRAN PIERRE FABRE MEDICAMENT (FR) 2010-08-05 WO disclosed
US-7309799-B2 Methods for the synthesis of milnacipran and congeners thereof COLLEGIUM PHARMACEUTICAL, INC. (US) 2007-12-18 US disclosed
US-20060281746-A1 Cyclopropyl derivatives as nk3 receptor antagonists H. LUNDBECK A/S (DK) 2006-12-14 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 (4 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-10131624-B2 Process for the preparation of (1S,2R)-Milnacipran HTR5A, HTR1A, HTR4 MAPK1 2466/4885SMN1; SMN2 1839/4885ALDH1A1 704/4885
US-20140343322-A1 PROCESS FOR PREPARING LEVOMILNACIPRAN HCL TNNT2, SSTR2, TNNC1 MAPK1 1509/4885SMN1; SMN2 1512/4885ALDH1A1 2132/4885
US-20110295036-A1 METHOD FOR SYNTHESIS OF (1S, 2R)-MILNACIPRAN LCT, AGTR2, SLC28A2 MAPK1 3761/4885SMN1; SMN2 3905/4885ALDH1A1 290/4885
US-20060281746-A1 Cyclopropyl derivatives as nk3 receptor antagonists TACR2, SLC6A3, TACR1 MAPK1 1121/4885SMN1; SMN2 4400/4885ALDH1A1 1871/4885

“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.