SCHEMBL8228263

SCHEMBL8228263

CC(C)Cc1ccnc(N2CCOCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 7/20 0.56
PIK3CA P42336 2/20 0.50
ALDH1A1 P00352 1/20 0.43
CYP2C19 P33261 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRL1 P41146 1/20 0.42
TRPV3 Q8NET8 1/20 0.41
PIK3CB P42338 1/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
OGA O60502 1/20 0.40

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
SCHEMBL8197483 0.83 PIK3CA (0.59) LRRK2PIK3CACYP2C19OPRM1OPRL1
SCHEMBL10223974 0.81 KMT2A (0.49) LRRK2PIK3CAALDH1A1CYP2C19PIK3CB
SCHEMBL22792262 0.81 MEN1 (0.43) LRRK2ALDH1A1MEN1KMT2A
SCHEMBL13069962 0.81 PIK3CA (0.53) LRRK2PIK3CAALDH1A1CYP2C19OPRM1
SCHEMBL2459118 0.80 PIK3CA (0.54) LRRK2PIK3CACYP2C19OPRM1OPRL1
SCHEMBL8358064 0.80 PIK3CA (0.54) LRRK2PIK3CACYP2C19OPRM1OPRL1
SCHEMBL5718308 0.80 PIK3CA (0.54) LRRK2PIK3CACYP2C19OPRM1OPRL1
SCHEMBL3742630 0.80 PIK3CA (0.57) LRRK2PIK3CAPIK3CB
SCHEMBL13028832 0.79 PIK3CA (0.50) LRRK2PIK3CACYP2C19OPRM1OPRL1
SCHEMBL10154083 0.79 PIK3CA (0.50) LRRK2PIK3CAALDH1A1CYP2C19OPRM1

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 21 patents — showing the first 20. 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-20100249102-A1 Heterotricyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDINGS, INC. (US) 2010-09-30 US disclosed
US-20100249102-A1 Heterotricyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDINGS, INC. (US) 2010-09-30 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-7749996-B2 Heterotricyclic metalloprotease inhibitors Alantos Pharmaceutical Holdings, Inc. (US) 2010-07-06 US disclosed
US-20100087420-A1 Heterotricyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDINGS, INC. (US) 2010-04-08 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-20080207607-A1 Heterotricyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-08-28 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
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
WO-2007139856-A2 HETEROBICYCLIC 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-20070155739-A1 Substituted bis-amide metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 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 (12 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 LRRK2 2249/4885PIK3CA 1813/4885ALDH1A1 3954/4885
US-20080176870-A1 Heterobicyclic metalloprotease inhibitors ADAM17, ADAM8, ADAM10 LRRK2 2272/4885PIK3CA 3490/4885ALDH1A1 2279/4885
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 LRRK2 2889/4885PIK3CA 3066/4885ALDH1A1 1806/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 LRRK2 2889/4885PIK3CA 3066/4885ALDH1A1 1806/4885
US-20100087420-A1 Heterotricyclic Metalloprotease Inhibitors MMP13, MMP3, TIMP3 LRRK2 4662/4885PIK3CA 2928/4885ALDH1A1 1908/4885
US-20080161300-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 LRRK2 2889/4885PIK3CA 3066/4885ALDH1A1 1806/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 LRRK2 2889/4885PIK3CA 3066/4885ALDH1A1 1806/4885
US-20100249102-A1 Heterotricyclic Metalloprotease Inhibitors MMP13, MMP3, TIMP3 LRRK2 4662/4885PIK3CA 2928/4885ALDH1A1 1908/4885
US-20070155739-A1 Substituted bis-amide metalloprotease inhibitors MMP13, MMP9, ADAMTS13 LRRK2 3493/4885PIK3CA 2203/4885ALDH1A1 601/4885
US-20080021024-A1 Metalloprotease inhibitors MMP2, MMP9, MMP3 LRRK2 2805/4885PIK3CA 4093/4885ALDH1A1 280/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 LRRK2 2889/4885PIK3CA 3066/4885ALDH1A1 1806/4885
US-20080207607-A1 Heterotricyclic metalloprotease inhibitors MMP13, MMP3, TIMP3 LRRK2 4662/4885PIK3CA 2928/4885ALDH1A1 1908/4885

“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.