SCHEMBL2113533

SCHEMBL2113533

CC(C)(C)OC(=O)Nc1cccc(CC2CN(C(=O)OC(C)(C)C)CC2O)n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.40
SIRT1 Q96EB6 1/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
USP30 Q70CQ3 2/20 0.36
ACHE P22303 2/20 0.36
CCR2 P41597 1/20 0.36
GRIN2B Q13224 1/20 0.35
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPN6 P29350 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
KIF18A Q8NI77 1/20 0.35
NR1H2 P55055 1/20 0.35
TRPV3 Q8NET8 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
SCHEMBL2600830 1.00 NAMPT (0.40) NAMPTSIRT1JAK2JAK1USP30
SCHEMBL2600833 1.00 NAMPT (0.40) NAMPTSIRT1JAK2JAK1USP30
SCHEMBL2600858 1.00 NAMPT (0.40) NAMPTSIRT1JAK2JAK1USP30
SCHEMBL4731287 0.93 GRIN2B (0.37) NAMPTSIRT1USP30ACHECCR2
SCHEMBL2600843 0.85 SSTR4 (0.35) NAMPTJAK1NR1H2
SCHEMBL2115673 0.85 SSTR4 (0.35) NAMPTJAK1NR1H2
SCHEMBL2785572 0.85 SSTR4 (0.35) NAMPTJAK1NR1H2
SCHEMBL2600834 0.84 NOS1 (0.40) NAMPTSIRT1USP30CCR2KIF18A
SCHEMBL2600819 0.83 GRIN2B (0.42) SIRT1JAK1GRIN2B
SCHEMBL2112654 0.83 GRIN2B (0.42) SIRT1JAK1GRIN2B

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 7 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
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
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

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 NAMPT 612/4885SIRT1 513/4885JAK2 2791/4885
US-20080108814-A1 Potent and highly selective heteroaromatic inhibitors of neuronal nitric oxide synthase NOS1, NOS2, NOS3 NAMPT 389/4885SIRT1 457/4885JAK2 2514/4885

“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.