SCHEMBL10163703

SCHEMBL10163703

CN1C(=O)COc2ccc(C#N)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.48
PDE3A Q14432 2/20 0.48
USP30 Q70CQ3 1/20 0.45
CASP3 P42574 1/20 0.44
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
GRM4 Q14833 1/20 0.41
KCNH2 Q12809 1/20 0.41
ALOX5 P09917 1/20 0.40
CTSC P53634 1/20 0.40
PIK3CG P48736 1/20 0.40
GPR55 Q9Y2T6 1/20 0.39
PTGER3 P43115 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL14565025 0.84 USP30 (0.51) PDE3BPDE3AUSP30CYP11B1CYP11B2
SCHEMBL14565122 0.83 USP30 (0.41) PDE3BPDE3AUSP30CASP3GABRA1
SCHEMBL10164939 0.81 PIK3CG (0.49) KCNH2PIK3CGPOLBMAPTHTR1A
SCHEMBL10164948 0.81 PIK3CG (0.40) CASP3KCNH2PIK3CGPOLBMAPT
SCHEMBL28801639 0.78 PDE3B (0.54) PDE3BPDE3AUSP30GABRG2GABRB3
SCHEMBL280110 0.78 TSHR (0.58) PDE3BPDE3APOLBTSHRHTT
SCHEMBL25586394 0.77 RIPK1 (0.46) CASP3DRD2RIPK1
SCHEMBL3332098 0.76 PDE3B (0.51) PDE3BPDE3AUSP30CYP11B1CYP11B2
SCHEMBL265087 0.76 PDE3B (0.54) PDE3BPDE3AUSP30CYP11B1CYP11B2
SCHEMBL13780087 0.76 KMO (0.58) PDE3BPDE3APOLBMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835441-B2 Heterobicyclic metalloprotease inhibitors AMGEN INC. (US) 2014-09-16 US disclosed
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 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-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 PDE3B 605/4885PDE3A 767/4885USP30 2379/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 PDE3B 605/4885PDE3A 767/4885USP30 2379/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 PDE3B 605/4885PDE3A 767/4885USP30 2379/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 PDE3B 605/4885PDE3A 767/4885USP30 2379/4885

“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.