SCHEMBL3554072

SCHEMBL3554072

CC(N)[C@@H](N)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.51
SLC6A4 P31645 3/20 0.47
SLC6A3 Q01959 3/20 0.47
SLC6A2 P23975 1/20 0.47
ALDH1A1 P00352 2/20 0.46
SCN10A Q9Y5Y9 4/20 0.42
EPHX1 P07099 1/20 0.40
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
SPPL2B Q8TCT7 1/20 0.38
SPPL2A Q8TCT8 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
SLC7A5 Q01650 2/20 0.38
MAPT P10636 2/20 0.38
EPHX2 P34913 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL24017149 0.88 PDE2A (0.49) PDE2ASLC6A4SLC6A3SLC6A2ALDH1A1
SCHEMBL24017106 0.88 PDE2A (0.49) PDE2ASLC6A4SLC6A3SLC6A2ALDH1A1
Hydrochloric Acid SCHEMBL16563584 0.87 PDE2A (0.50) PDE2ASLC6A4SLC6A3SLC6A2ALDH1A1
SCHEMBL2021163 0.84 PDE2A (0.54) PDE2ASLC6A4SLC6A3SLC6A2ALDH1A1
SCHEMBL1727739 0.84 PDE2A (0.54) PDE2ASLC6A4SLC6A3SLC6A2ALDH1A1
SCHEMBL1729345 0.84 PDE2A (0.54) PDE2ASLC6A4SLC6A3SLC6A2ALDH1A1
Hydrochloric Acid SCHEMBL2716505 0.82 PDE2A (0.53) PDE2ASLC6A4SLC6A3SLC6A2ALDH1A1
Hydrochloric Acid SCHEMBL14120857 0.82 PDE2A (0.53) PDE2ASLC6A4SLC6A3SLC6A2ALDH1A1
Hydrochloric Acid SCHEMBL20302874 0.82 PDE2A (0.53) PDE2ASLC6A4SLC6A3SLC6A2ALDH1A1
SCHEMBL2056155 0.79 PDE2A (0.58) PDE2ASLC6A4SLC6A3SLC6A2ALDH1A1

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-7732449-B2 Inhibitors of cathepsin S IRM LLC (BM) 2010-06-08 US disclosed
EP-1658267-B1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2009-10-14 EP disclosed
US-20090137570-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2009-05-28 US disclosed
US-7501408-B2 Inhibitors of cathepsin S IRM LLC (BM) 2009-03-10 US disclosed
US-20080108595-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2008-05-08 US disclosed
US-7314872-B2 Inhibitors of cathepsin S IRM LLC (BM) 2008-01-01 US disclosed
EP-1658267-A4 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2007-08-01 EP disclosed
EP-1658267-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2006-05-24 EP disclosed
US-20050113356-A1 Inhibitors of cathepsin S IRM LLC (BM) 2005-05-26 US disclosed
WO-2005034848-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2005-04-21 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 (3 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-20090137570-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ PDE2A 3760/4885SLC6A4 3366/4885SLC6A3 2131/4885
US-20080108595-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ PDE2A 3760/4885SLC6A4 3366/4885SLC6A3 2131/4885
US-20050113356-A1 Inhibitors of cathepsin S CTSS, CTSB, CTSZ PDE2A 3760/4885SLC6A4 3366/4885SLC6A3 2131/4885

“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.