SCHEMBL2115673

SCHEMBL2115673

Cc1cc(CC2CN(C(=O)OC(C)(C)C)CC2O)nc(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.35
PIK3CD O00329 2/20 0.35
SCN9A Q15858 1/20 0.35
JAK1 P23458 2/20 0.35
NAMPT P43490 1/20 0.34
NR1H2 P55055 1/20 0.34
LCK P06239 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
SYK P43405 1/20 0.33
PDE4B Q07343 2/20 0.33
JAK3 P52333 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL2785572 1.00 SSTR4 (0.35) SSTR4PIK3CDSCN9AJAK1NAMPT
SCHEMBL2600843 1.00 SSTR4 (0.35) SSTR4PIK3CDSCN9AJAK1NAMPT
SCHEMBL2260109 0.90 JAK3 (0.35) SSTR4PIK3CDSCN9AJAK1NAMPT
SCHEMBL2257605 0.90 JAK3 (0.35) SSTR4PIK3CDSCN9AJAK1NAMPT
SCHEMBL2259978 0.90 JAK3 (0.35) SSTR4PIK3CDSCN9AJAK1NAMPT
SCHEMBL2257599 0.90 JAK3 (0.35) SSTR4PIK3CDSCN9AJAK1NAMPT
SCHEMBL2261585 0.90 JAK3 (0.35) SSTR4PIK3CDSCN9AJAK1NAMPT
SCHEMBL15947661 0.86 PIK3CD (0.33) SSTR4PIK3CDSCN9AJAK1NAMPT
SCHEMBL2113533 0.85 NAMPT (0.40) JAK1NAMPTNR1H2
SCHEMBL2600833 0.85 NAMPT (0.40) JAK1NAMPTNR1H2

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-8158658-B2 Heteroaromatic selective inhibitors of neuronal nitric oxide synthase NORTHWESTERN UNIVERSITY (US) 2012-04-17 US disclosed
US-7994326-B2 For treatment of various forms of neurodegeneration, including that from stroke, Alzheimer's disease, Parkinson's disease, and Huntington's disease NORTHWESTERN UNIVERSITY (US) 2011-08-09 US disclosed
EP-1670478-A4 HETEROAROMATIC SELECTIVE INHIBITORS OF NEURONAL NITRIC OXIDE SYNTHASE UNIV NORTHWESTERN (US) 2009-05-06 EP disclosed
US-20090104677-A1 Heteroaromatic Selective Inhibitors of Neuronal Nitric Oxide Synthase NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-04-23 US disclosed
US-7470790-B2 Heteroaromatic selective inhibitors of neuronal nitric oxide synthase NORTHWESTERN UNIVERSITY (US) 2008-12-30 US disclosed
US-20080108814-A1 Potent and highly selective heteroaromatic inhibitors of neuronal nitric oxide synthase NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-05-08 US disclosed
WO-2008042353-A1 POTENT AND HIGHLY SELECTIVE HETEROAROMATIC INHIBITORS OF NEURONAL NITRIC OXIDE SYNTHASE NORTHWESTERN UNIVERSITY (US) 2008-04-10 WO disclosed
EP-1670478-A2 HETEROAROMATIC SELECTIVE INHIBITORS OF NEURONAL NITRIC OXIDE SYNTHASE NORTHWESTERN UNIVERSITY (US) 2006-06-21 EP disclosed
US-20050107369-A1 Heteroaromatic selective inhibitors of neuronal nitric oxide synthase NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-05-19 US disclosed
WO-2005026111-A2 HETEROAROMATIC SELECTIVE INHIBITORS OF NEURONAL NITRIC OXIDE SYNTHASE NORTHWESTERN UNIVERSITY (US) 2005-03-24 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 (2 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-20050107369-A1 Heteroaromatic selective inhibitors of neuronal nitric oxide synthase NOS1, NOS2, NOS3 SSTR4 3028/4885PIK3CD 3913/4885SCN9A 767/4885
US-20080108814-A1 Potent and highly selective heteroaromatic inhibitors of neuronal nitric oxide synthase NOS1, NOS2, NOS3 SSTR4 1271/4885PIK3CD 4607/4885SCN9A 1113/4885

“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.