SCHEMBL10162199

SCHEMBL10162199

CC(=O)C12CCC(CNC(=O)c3cc(C(=O)NCc4ccc(C(F)(F)F)cc4)nc4ccnn34)(CC1)CC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.37
MMP13 P45452 2/20 0.37
ADAMTS4 O75173 1/20 0.37
MMP3 P08254 1/20 0.37
MMP8 P22894 1/20 0.37
MMP12 P39900 1/20 0.37
KDM1A O60341 1/20 0.36
HDAC1 Q13547 1/20 0.36
MAPK1 P28482 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
LSS P48449 1/20 0.36
SORT1 Q99523 1/20 0.36
GSK3B P49841 1/20 0.35
PSMD14 O00487 1/20 0.35
STAMBP O95630 1/20 0.35
ROCK2 O75116 1/20 0.35

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
SCHEMBL10162181 0.91 HRH4 (0.44) MMP13TRPV1
SCHEMBL10162203 0.91 SMN1; SMN2 (0.40) SMN1; SMN2MMP13ADAMTS4MMP3MMP8
SCHEMBL10162176 0.89 MMP13 (0.44) PDE2AMMP13ADAMTS4MMP3MMP8
SCHEMBL10162264 0.88 PDE2A (0.39) PDE2AMMP13CHRNB2CHRNB4CHRNA3
SCHEMBL10162179 0.87 MMP13 (0.39) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10162247 0.86 MMP13 (0.46) PDE2AMMP13ADAMTS4MMP3MAPK1
SCHEMBL10162185 0.86 MMP13 (0.47) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10162206 0.86 LMNA (0.42) SMN1; SMN2MMP13ADAMTS4MMP3MMP8
SCHEMBL10162184 0.86 MMP13 (0.37) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10162183 0.85 MMP13 (0.40) MMP13ADAMTS4MMP3MMP8MMP12

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 6 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-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 PDE2A 1534/4885SMN1; SMN2 4594/4885MMP13 1/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 PDE2A 1534/4885SMN1; SMN2 4594/4885MMP13 1/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 PDE2A 1534/4885SMN1; SMN2 4594/4885MMP13 1/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 PDE2A 1534/4885SMN1; SMN2 4594/4885MMP13 1/4885

“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.