SCHEMBL10163702

SCHEMBL10163702

CC(=O)N1CCc2ccc(C#N)cc2C1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.58
DRD2 P14416 4/20 0.52
DRD3 P35462 3/20 0.52
MAPT P10636 1/20 0.49
SPR P35270 1/20 0.48
LCK P06239 1/20 0.48
RET P07949 1/20 0.48
KDR P35968 1/20 0.48
LRRK2 Q5S007 1/20 0.48
ALK Q9UM73 1/20 0.48
NAMPT P43490 6/20 0.48
AKR1C3 P42330 1/20 0.48
HSD17B3 P37058 2/20 0.47
HRH3 Q9Y5N1 1/20 0.47
DRD4 P21917 1/20 0.47
OPRM1 P35372 1/20 0.47
TRPA1 O75762 1/20 0.45
F10 P00742 1/20 0.44

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
SCHEMBL2310030 0.91 NOTUM (0.49) NOTUMDRD2DRD3MAPTSPR
SCHEMBL28369820 0.87 AKR1C3 (0.52) DRD2DRD3MAPTSPRNAMPT
SCHEMBL18701682 0.85 HDAC6 (0.54) DRD2DRD3MAPTSPRNAMPT
SCHEMBL7843303 0.85 NAMPT (0.54) DRD2DRD3MAPTSPRNAMPT
SCHEMBL7636939 0.82 ESR1 (0.67) DRD2DRD3MAPTSPRNAMPT
SCHEMBL29586616 0.81 NR1H2 (0.67) DRD2DRD3MAPTSPRNAMPT
SCHEMBL2416879 0.81 NR1H2 (0.67) DRD2DRD3MAPTSPRNAMPT
SCHEMBL29040775 0.81 AKR1C3 (0.52) DRD2DRD3MAPTSPRNAMPT
SCHEMBL20720388 0.80 AKR1C3 (0.48) DRD2DRD3MAPTSPRNAMPT
SCHEMBL5777772 0.79 NOTUM (0.45) NOTUMDRD2DRD3MAPTSPR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 US disclosed
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-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-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-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-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
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 (5 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 NOTUM 1094/4885DRD2 4453/4885DRD3 2353/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 NOTUM 1094/4885DRD2 4453/4885DRD3 2353/4885
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS SPR, QDPR, SRR NOTUM 2116/4885DRD2 1811/4885DRD3 2960/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 NOTUM 1094/4885DRD2 4453/4885DRD3 2353/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 NOTUM 1094/4885DRD2 4453/4885DRD3 2353/4885

“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.