SCHEMBL577943

SCHEMBL577943

COc1cc2c(cc1OC)CCC[C]2

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.45
MAPT P10636 2/20 0.45
MAOA P21397 6/20 0.38
KDM4E B2RXH2 5/20 0.38
CHRNA7 P36544 2/20 0.38
MAOB P27338 2/20 0.38
SLC6A4 P31645 1/20 0.38
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36
DRD3 P35462 1/20 0.36
ALDH1A1 P00352 3/20 0.36
GLA P06280 2/20 0.36
GAA P10253 2/20 0.36
TSHR P16473 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP11B2 P19099 1/20 0.35
SMN1; SMN2 Q16637 1/20 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
SCHEMBL9620895 0.74 CYP3A4 (0.46) CYP3A4MAPTMAOAKDM4ECHRNA7
SCHEMBL577377 0.74 DRD1 (0.42) CHRNA7DRD2DRD1DRD4DRD5
SCHEMBL585204 0.74 BCL2 (0.43) MAPTKDM4ECHRNA7DRD2DRD1
SCHEMBL5045112 0.74 MAPT (0.62) CYP3A4MAPTMAOAKDM4ECHRNA7
SCHEMBL59900 0.74 MAPT (0.62) CYP3A4MAPTMAOAKDM4ECHRNA7
SCHEMBL317047 0.73 CDC25B (0.33) MAPTKDM4EALDH1A1GAATSHR
SCHEMBL9620937 0.70 KDM4E (0.45) CYP3A4MAPTMAOAKDM4ECHRNA7
SCHEMBL2594537 0.69 MAPT (0.68) CYP3A4MAPTMAOAKDM4ECHRNA7
SCHEMBL29924708 0.69 MAPT (0.68) CYP3A4MAPTMAOAKDM4ECHRNA7
SCHEMBL14481557 0.69 MAPT (0.68) CYP3A4MAPTMAOAKDM4ECHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9284307-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS LLC (US) 2016-03-15 US disclosed
US-8993595-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-8377962-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
EP-2461811-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX Pharmaceuticals, Inc. (US) 2012-06-13 EP disclosed
EP-2417134-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX Pharmaceuticals, Inc. (US) 2012-02-15 EP disclosed
US-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2011-06-02 US disclosed
WO-2011017389-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX PHARMACEUTICALS, INC. (US) 2011-02-10 WO disclosed
WO-2010118078-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 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 (3 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-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 CYP3A4 353/4885MAPT 3077/4885MAOA 1847/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 CYP3A4 353/4885MAPT 3077/4885MAOA 1847/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 CYP3A4 353/4885MAPT 3077/4885MAOA 1847/4885

“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.