SCHEMBL10159758

SCHEMBL10159758

CC(C)NC1CCCCc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.51
EPHX1 P07099 1/20 0.49
HTT P42858 3/20 0.48
LMNA P02545 2/20 0.48
TSHR P16473 1/20 0.47
ALDH1A1 P00352 5/20 0.47
HSD17B10 Q99714 1/20 0.47
KMT2A Q03164 2/20 0.47
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
TAS1R2 Q8TE23 1/20 0.47
MEN1 O00255 1/20 0.46
SLC18A3 Q16572 1/20 0.45

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
SCHEMBL13164295 0.95 PDPK1 (0.53) PDPK1EPHX1HTTLMNATSHR
SCHEMBL12130659 0.95 PDPK1 (0.53) PDPK1EPHX1HTTLMNATSHR
SCHEMBL10159937 0.95 PDPK1 (0.53) PDPK1EPHX1HTTLMNATSHR
SCHEMBL14438319 0.89 PDPK1 (0.65) PDPK1HTTLMNATSHRSLC18A3
SCHEMBL14438322 0.89 PDPK1 (0.65) PDPK1HTTLMNATSHRSLC18A3
SCHEMBL9144137 0.89 PDPK1 (0.65) PDPK1HTTLMNATSHRSLC18A3
SCHEMBL1736859 0.83 HTT (0.49) PDPK1EPHX1HTTLMNATSHR
SCHEMBL1736569 0.83 ALDH1A1 (0.51) PDPK1EPHX1HTTLMNATSHR
SCHEMBL10196862 0.79 LMNA (0.39) LMNAALDH1A1KMT2AMEN1
SCHEMBL19652059 0.79 EPHX1 (0.59) EPHX1HTTTSHRALDH1A1HSD17B10

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-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-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-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
US-20080176870-A1 Heterobicyclic metalloprotease inhibitors NOLTE BERT 2008-07-24 US disclosed
US-20080161300-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-07-03 US disclosed
US-20080021024-A1 Metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-01-24 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155737-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 (8 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-20070155737-A1 Heterobicyclic metalloprotease inhibitors ADAMTS4, ADAMTS1, ADAMTS5 PDPK1 3668/4885EPHX1 2018/4885HTT 424/4885
US-20080176870-A1 Heterobicyclic metalloprotease inhibitors ADAM17, ADAM8, ADAM10 PDPK1 3080/4885EPHX1 419/4885HTT 2721/4885
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 PDPK1 2525/4885EPHX1 1797/4885HTT 2315/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 PDPK1 2525/4885EPHX1 1797/4885HTT 2315/4885
US-20080161300-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 PDPK1 2525/4885EPHX1 1797/4885HTT 2315/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 PDPK1 2525/4885EPHX1 1797/4885HTT 2315/4885
US-20080021024-A1 Metalloprotease inhibitors MMP2, MMP9, MMP3 PDPK1 3808/4885EPHX1 409/4885HTT 3318/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 PDPK1 2525/4885EPHX1 1797/4885HTT 2315/4885

“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.