SCHEMBL4052487

SCHEMBL4052487

Cc1c(C(=O)O)ccc2c1CC[C@@H]2N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.45
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
KDM4C Q9H3R0 3/20 0.36
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRE P78334 1/20 0.34
GABRA6 Q16445 1/20 0.34
GABRG1 Q8N1C3 1/20 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
SCHEMBL4257175 1.00 ACHE (0.45) ACHEDDB1CRBNKDM4CMAPT
Hydrochloric Acid SCHEMBL4254987 0.98 ACHE (0.47) ACHEDDB1CRBNKDM4CMAPT
SCHEMBL8184234 0.87 ACHE (0.45) ACHEMAPTKDM4E
SCHEMBL13162860 0.83 ACHE (0.45) ACHE
SCHEMBL4995159 0.83 ACHE (0.48) ACHEMAPTTSHRKDM4ENPC1
SCHEMBL8247480 0.83 ACHE (0.51) ACHE
SCHEMBL14345575 0.82 DDB1 (0.37) DDB1CRBNKDM4CMAPTTSHR
Hydrochloric Acid SCHEMBL4995154 0.82 ACHE (0.50) ACHEMAPTTSHRKDM4EHSD17B10
Hydrochloric Acid SCHEMBL4048342 0.82 ACHE (0.50) ACHEMAPTTSHRKDM4EHSD17B10
SCHEMBL8252075 0.81 ACHE (0.40) ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2038284-A2 HETEROBICYLIC METALLOPROTEASE INHIBITORS Alantos Pharmaceuticals, Inc. (US) 2009-03-25 EP disclosed
US-20080221083-A1 Heterobicyclic metalloprotease inhibitors HOCHGURTEL MATTHIAS 2008-09-11 US disclosed
US-20080176870-A1 Heterobicyclic metalloprotease inhibitors NOLTE BERT 2008-07-24 US disclosed
US-20080176870-A1 Heterobicyclic metalloprotease inhibitors NOLTE BERT 2008-07-24 US disclosed
WO-2008063671-A2 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-05-29 WO disclosed
US-20080021024-A1 Metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-01-24 US disclosed
US-20080021024-A1 Metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-01-24 US disclosed
WO-2008002671-A2 METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-01-03 WO disclosed
WO-2007139860-A2 HETEROBICYLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS, INC. (US) 2007-12-06 WO disclosed
WO-2007139856-A2 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS, INC. (US) 2007-12-06 WO disclosed
WO-2007139860-A2 HETEROBICYLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS, INC. (US) 2007-12-06 WO 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
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 (7 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 ACHE 2784/4885DDB1 1994/4885CRBN 2599/4885
US-20080176870-A1 Heterobicyclic metalloprotease inhibitors ADAM17, ADAM8, ADAM10 ACHE 664/4885DDB1 1376/4885CRBN 3068/4885
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 ACHE 1732/4885DDB1 3225/4885CRBN 4207/4885
US-20080221083-A1 Heterobicyclic metalloprotease inhibitors MMP13, MMP3, TIMP3 ACHE 1565/4885DDB1 2807/4885CRBN 4263/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 ACHE 1732/4885DDB1 3225/4885CRBN 4207/4885
US-20080021024-A1 Metalloprotease inhibitors MMP2, MMP9, MMP3 ACHE 702/4885DDB1 2402/4885CRBN 3680/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 ACHE 1732/4885DDB1 3225/4885CRBN 4207/4885

“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.