SCHEMBL6991005

SCHEMBL6991005

CCOC(=O)C1(OCC)C=Cc2ccccc2N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
OPRM1 P35372 3/20 0.40
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
GAA P10253 4/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 4/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 2/20 0.35
OPRD1 P41143 2/20 0.34

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
SCHEMBL30250427 1.00 BRD4 (0.40) BRD4OPRM1IDO1TDO2GAA
SCHEMBL31305217 0.87 MAPT (0.35) IDO1TDO2GAATSHRHSD17B10
SCHEMBL7562619 0.81 P2RX4 (0.41) GAATSHRHSD17B10MAPTALDH1A1
SCHEMBL23629627 0.68 SMN1; SMN2 (0.41) OPRM1GAATSHRMAPTALDH1A1
SCHEMBL27957994 0.68 TSHR (0.41) BRD4OPRM1TSHRHSD17B10ALDH1A1
SCHEMBL30183273 0.67 TSHR (0.40) BRD4OPRM1TSHRHSD17B10MAPT
SCHEMBL10980767 0.67 ALDH1A1 (0.38) BRD4IDO1TDO2GAAHSD17B10
SCHEMBL6097775 0.66 ALDH1A1 (0.41) IDO1GAATSHRHSD17B10MAPT
SCHEMBL7159138 0.65 MAPT (0.45) GAAMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL984966 0.64 MAPT (0.41) IDO1GAAHSD17B10MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230220036-A1 IMPROVED PROCESS FOR THE PREPARATION OF SEMAGLUTIDE NEULAND LABORATORIES LTD (IN) 2023-07-13 US claimed
US-20230220036-A1 IMPROVED PROCESS FOR THE PREPARATION OF SEMAGLUTIDE NEULAND LABORATORIES LTD (IN) 2023-07-13 US disclosed
EP-0641343-B1 4-MERCAPTOACETYLAMINO-[2] BENZAZEPINONE(3) DERIVATIVES, AND USE AS ENKEPHALINASE INHIBITORS MERRELL PHARMA INC (US) 2003-06-25 EP disclosed
EP-0751783-B1 HYPOCHOLESTEROLEMIC, ANTIATHEROSCLEROTIC AND HYPOTRIGLYCERIDEMIC USE OF AMINOACETYLMERCAPTO DERIVATIVES MERRELL PHARMA INC (US) 2000-02-02 EP disclosed
EP-0625987-B1 AMINOACETYLMERCAPTOACETYLAMIDE DERIVATIVES USEFUL AS INHIBITORS OF ENKEPHALINASE AND ACE MERRELL PHARMA INC (US) 1998-04-01 EP disclosed
US-5624921-A Hypotriglyceridemic aminoacetylmercapto derivatives MERRELL PHARMACEUTICALS INC. (US) 1997-04-29 US disclosed
US-5602122-A Method for lowering total serum cholesterol and treating hypercholesterolemia with aminoacetylmercapto derivatives MERRELL PHARMACEUTICALS INC. (US) 1997-02-11 US disclosed
EP-0751783-A1 HYPOCHOLESTEROLEMIC, ANTIATHEROSCLEROTIC AND HYPOTRIGLYCERIDEMIC AMINOACETYLMERCAPTO DERIVATIVES MERRELL PHARMACEUTICALS INC. (US) 1997-01-08 EP disclosed
US-5529995-A Aminoacetylmercapto derivatives useful as inhibitors of enkephalinase and ACE MERRELL DOW PHARMACEUTICALS INC. (US) 1996-06-25 US disclosed
US-5488048-A Aminoacetylmercapto derivatives useful as inhibitors of enkephalinase and ace MERRELL DOW PHARMACEUTICALS INC. (US) 1996-01-30 US disclosed
WO-1995025532-A1 HYPOCHOLESTEROLEMIC, ANTIATHEROSCLEROTIC AND HYPOTRIGLYCERIDEMIC AMINOACETYLMERCAPTO DERIVATIVES MERRELL PHARMACEUTICALS INC. (US) 1995-09-28 WO disclosed
US-5424425-A Aminoacetylmercapto derivatives useful as inhibitors of enkephalinase and ace MERRELL DOW PHARMACEUTICALS INC. (US) 1995-06-13 US disclosed
EP-0641343-A1 4-MERCAPTOACETYLAMINO- 2] BENZAZEPINONE(3) DERIVATIVES, AND USE AS ENKEPHALINASE INHIBITORS MERRELL PHARMACEUTICALS INC. (US) 1995-03-08 EP disclosed
EP-0625987-A1 AMINOACETYLMERCAPTOACETYLAMIDE DERIVATIVES USEFUL AS INHIBITORS OF ENKEPHALINASE AND ACE MERRELL PHARMACEUTICALS INC. (US) 1994-11-30 EP disclosed
WO-1993023397-A1 4-MERCAPTOACETYLAMINO-[2] BENZAZEPINONE(3) DERIVATIVES, AND USE AS ENKEPHALINASE INHIBITORS MERRELL DOW PHARMACEUTICALS INC. (US) 1993-11-25 WO disclosed
US-5238932-A Mercaptoacetylamide tricyclic derivatives useful as inhibitors of enkephalinase MERRELL DOW PHARMACEUTICALS INC. (US) 1993-08-24 US disclosed
WO-1993016103-A1 AMINOACETYLMERCAPTOACETYLAMIDE DERIVATIVES USEFUL AS INHIBITORS OF ENKEPHALINASE AND ACE MERRELL DOW PHARMACEUTICALS INC. (US) 1993-08-19 WO disclosed
US-4642308-A ANTICONVULSANTS, ANXIOLYTIC AGENTS, ANTIEPILEPTIC AGENTS, HYPNOTICS, MUSCLE RELAXANTS RHONE-POULENC SANTE (FR) 1987-02-10 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 (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-20230220036-A1 IMPROVED PROCESS FOR THE PREPARATION OF SEMAGLUTIDE GCG, OGDH, ABAT BRD4 2713/4885OPRM1 1390/4885IDO1 913/4885

“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.