SCHEMBL10165138

SCHEMBL10165138

CC(C)N1C(=O)COc2ccc(CNC(=O)OC(C)(C)C)cc21

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.44
CYP2D6 P10635 3/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 2/20 0.44
HTT P42858 2/20 0.43
NAMPT P43490 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP2C9 P11712 1/20 0.41
TP53 P04637 3/20 0.41
POLB P06746 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 1/20 0.39
BRD4 O60885 1/20 0.38
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 2/20 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
SCHEMBL8251960 0.86 CYP1A2 (0.46) CYP1A2CYP2D6CYP3A4CYP2C19NAMPT
SCHEMBL10165136 0.85 CYP1A2 (0.53) CYP1A2CYP2D6CYP3A4CYP2C19HTT
SCHEMBL7270138 0.81 KMO (0.56) CYP1A2CYP2D6CYP3A4CYP2C19HTT
SCHEMBL7278244 0.80 CYP3A4 (0.54) CYP1A2CYP2D6CYP3A4CYP2C19CYP2C9
SCHEMBL10209974 0.79 HTT (0.43) CYP1A2CYP2D6CYP3A4CYP2C19HTT
SCHEMBL8190800 0.77 CYP1A2 (0.51) CYP1A2CYP2D6CYP3A4CYP2C19NAMPT
SCHEMBL14078763 0.77 NAMPT (0.40) CYP1A2CYP2D6CYP3A4CYP2C19HTT
SCHEMBL8199087 0.76 NAMPT (0.41) CYP1A2CYP2D6CYP3A4CYP2C19HTT
SCHEMBL13377645 0.76 BRD4 (0.45) CYP1A2CYP2D6CYP3A4CYP2C19NAMPT
SCHEMBL8203533 0.76 SMN1; SMN2 (0.43) CYP1A2CYP2D6CYP3A4CYP2C19HTT

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 CYP1A2 763/4885CYP2D6 535/4885CYP3A4 708/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 CYP1A2 763/4885CYP2D6 535/4885CYP3A4 708/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 CYP1A2 763/4885CYP2D6 535/4885CYP3A4 708/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 CYP1A2 763/4885CYP2D6 535/4885CYP3A4 708/4885

“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.