SCHEMBL3049469

SCHEMBL3049469

COc1ccccc1OCCNC(=O)C(N)C(C)(C)C

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.63
MTNR1B P49286 1/20 0.63
NPC1 O15118 3/20 0.54
HSP90AA1 P07900 1/20 0.54
KMT2A Q03164 2/20 0.53
HPGD P15428 1/20 0.53
LMNA P02545 2/20 0.50
MEN1 O00255 1/20 0.50
HSD17B10 Q99714 1/20 0.50
GAA P10253 1/20 0.50
HTR1A P08908 1/20 0.49
ADRA1D P25100 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
RAB9A P51151 2/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL8471418 1.00 MTNR1A (0.63) MTNR1AMTNR1BNPC1HSP90AA1KMT2A
SCHEMBL31483032 0.81 MTNR1A (0.77) MTNR1AMTNR1BNPC1HSP90AA1KMT2A
SCHEMBL13690878 0.81 ALDH1A1 (0.66) NPC1KMT2AHPGDMEN1HSD17B10
SCHEMBL6195294 0.78 MTNR1A (1.00) MTNR1AMTNR1BNPC1HSP90AA1KMT2A
SCHEMBL7072684 0.78 MTNR1A (0.77) MTNR1AMTNR1BNPC1HSP90AA1KMT2A
SCHEMBL2830568 0.78 MTNR1A (0.67) MTNR1AMTNR1BNPC1HSP90AA1KMT2A
SCHEMBL20463424 0.76 MTNR1A (0.72) MTNR1AMTNR1BNPC1HSP90AA1KMT2A
SCHEMBL7448429 0.75 MTNR1A (0.67) MTNR1AMTNR1BNPC1HSP90AA1KMT2A
SCHEMBL3514820 0.74 MTNR1A (0.61) MTNR1AMTNR1BNPC1HSP90AA1KMT2A
SCHEMBL20456218 0.73 MTNR1A (0.68) MTNR1AMTNR1BNPC1HSP90AA1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10172846-B2 HCV NS-3 serine protease inhibitors MEDIVIR AB (SE) 2019-01-08 US disclosed
US-20170196849-A1 HCV NS-3 SERINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2017-07-13 US disclosed
US-20100166706-A1 HCV NS-3 SERINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-07-01 US disclosed
EP-1713822-B1 HCV NS-3 SERINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-03-17 EP disclosed
US-7671032-B2 HCV NS-3 serine protease inhibitors MEDIVIR AB (SE) 2010-03-02 US disclosed
US-20100003216-A1 HCV NS-3 Serine Protease Inhibitors MEDIVIR AB (SE) 2010-01-07 US disclosed
EP-1713823-B1 HCV NS-3 SERINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2009-11-11 EP disclosed
US-7608590-B2 HCV NS-3 serine protease inhibitors MEDIVIR AB (SE) 2009-10-27 US disclosed
EP-1881001-A1 HCV NS-3 serine protease inhibitors Tibotec Pharmaceuticals Ltd. (IE) 2008-01-23 EP disclosed
EP-1881002-A1 HCV NS-3 serine protease inhibitors Tibotec Pharmaceuticals Ltd. (IE) 2008-01-23 EP disclosed
US-20070203072-A1 Hcv Ns-3 Serine Protease Inhibitors MEDIVIR AB (SE) 2007-08-30 US disclosed
US-20070161574-A1 Hcv ns-3 serine protease inhibitors MEDIVIR AB (SE) 2007-07-12 US disclosed
EP-1713822-A2 HCV NS-3 SERINE PROTEASE INHIBITORS Medivir Aktiebolag (SE) 2006-10-25 EP disclosed
EP-1713823-A2 HCV NS-3 SERINE PROTEASE INHIBITORS Medivir Aktiebolag (SE) 2006-10-25 EP disclosed
WO-2005073195-A2 HCV NS-3 SERINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2005-08-11 WO disclosed
WO-2005073216-A2 HCV NS-3 SERINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2005-08-11 WO 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 (6 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-20100003216-A1 HCV NS-3 Serine Protease Inhibitors SPINT2, SF3A3, GTF3C3 MTNR1A 2987/4885MTNR1B 2891/4885NPC1 1412/4885
US-20100166706-A1 HCV NS-3 SERINE PROTEASE INHIBITORS HPN, CPN1, PRSS1 MTNR1A 3641/4885MTNR1B 3026/4885NPC1 1379/4885
US-20070161574-A1 Hcv ns-3 serine protease inhibitors PRSS1, HPN, SPINT2 MTNR1A 3957/4885MTNR1B 3766/4885NPC1 1518/4885
US-20170196849-A1 HCV NS-3 SERINE PROTEASE INHIBITORS HPN, CPN1, PRSS1 MTNR1A 3641/4885MTNR1B 3026/4885NPC1 1379/4885
US-20070203072-A1 Hcv Ns-3 Serine Protease Inhibitors HPN, CPN1, PRSS1 MTNR1A 3715/4885MTNR1B 3328/4885NPC1 1311/4885
US-10172846-B2 HCV NS-3 serine protease inhibitors HPN, CPN1, PRSS1 MTNR1A 3641/4885MTNR1B 3026/4885NPC1 1379/4885

“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.