SCHEMBL577929

SCHEMBL577929

CC(C)Nc1ccc2c(c1)C[N]C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.39
RECQL P46063 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
ALOX12 P18054 1/20 0.38
ATM Q13315 1/20 0.38
HSD17B10 Q99714 1/20 0.38
AXL P30530 1/20 0.35
ABL1 P00519 1/20 0.35
KMT2A Q03164 2/20 0.34
TRPM8 Q7Z2W7 1/20 0.33
HTR6 P50406 1/20 0.33
OPRD1 P41143 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
AR P10275 2/20 0.32

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
SCHEMBL24783494 0.76 RAPGEF4 (0.47) L3MBTL1ALDH1A1LMNATHRBKMT2A
SCHEMBL14017824 0.76 RAPGEF4 (0.51) L3MBTL1ALDH1A1LMNATHRBKMT2A
SCHEMBL10094147 0.73 TDP1 (0.39) TDP1RECQLL3MBTL1ALDH1A1LMNA
SCHEMBL330033 0.73 HTR6 (0.40) TDP1RECQLL3MBTL1ALDH1A1LMNA
SCHEMBL25124431 0.73 TDP1 (0.39) TDP1RECQLL3MBTL1ALDH1A1LMNA
SCHEMBL6493994 0.69 CYP1A2 (0.62) TDP1L3MBTL1ALDH1A1LMNACYP3A4
SCHEMBL39430 0.68 TDP1 (0.72) TDP1RECQLL3MBTL1ALDH1A1LMNA
SCHEMBL25124377 0.68 P2RX3 (0.38) TDP1RECQLL3MBTL1ALDH1A1LMNA
SCHEMBL10189462 0.68 HTR6 (0.51) HTR6DDB1CRBN
SCHEMBL23066124 0.66 MKNK1 (0.47) DDB1CRBN

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 TDP1 4094/4885RECQL 2587/4885L3MBTL1 2994/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 TDP1 4094/4885RECQL 2587/4885L3MBTL1 2994/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 TDP1 4094/4885RECQL 2587/4885L3MBTL1 2994/4885

“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.