SCHEMBL10164948

SCHEMBL10164948

CC(C)N1C(=O)COc2ccc(C#N)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.40
PIK3CD O00329 2/20 0.40
PIK3R1 P27986 2/20 0.40
MTOR P42345 2/20 0.40
HTT P42858 3/20 0.38
KCNH2 Q12809 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.36
RARA P10276 1/20 0.36
RARB P10826 1/20 0.36
RARG P13631 1/20 0.36
CASP3 P42574 1/20 0.35
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
TDP2 O95551 1/20 0.35
ABCB1 P08183 4/20 0.34
ABCC9 O60706 2/20 0.34
ABCC8 Q09428 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
SCHEMBL10163703 0.81 PDE3B (0.48) PIK3CGHTTKCNH2POLBMAPT
SCHEMBL13140225 0.78 KMO (0.51) PIK3CDPIK3R1MTORHTTPOLB
SCHEMBL17807815 0.78 PIK3CD (0.41) PIK3CDPIK3R1MTORHTTPOLB
SCHEMBL10164939 0.78 PIK3CG (0.49) PIK3CGHTTKCNH2POLBMAPT
SCHEMBL22737819 0.76 ALDH1A1 (0.57) PIK3CGPIK3CDPIK3R1MTORHTT
SCHEMBL13164150 0.75 HTR1A (0.42) PIK3CGPIK3CDPIK3R1MTORHTT
SCHEMBL13140218 0.75 HTT (0.44) PIK3CDPIK3R1MTORHTTMAPT
SCHEMBL7350158 0.74 ALOX12 (0.47) POLBTSHRCYP2D6CYP2C9CYP2C19
SCHEMBL10376404 0.73 HTT (0.37) PIK3CDPIK3R1MTORHTTMAPT
SCHEMBL10209974 0.72 HTT (0.43) PIK3CDPIK3R1MTORHTTPOLB

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-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 PIK3CG 2663/4885PIK3CD 2764/4885PIK3R1 1801/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 PIK3CG 2663/4885PIK3CD 2764/4885PIK3R1 1801/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 PIK3CG 2663/4885PIK3CD 2764/4885PIK3R1 1801/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 PIK3CG 2663/4885PIK3CD 2764/4885PIK3R1 1801/4885

“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.