SCHEMBL2114438

SCHEMBL2114438

CC(C)(C)OC(=O)Nc1cccc(CC2CN(Cc3ccccc3)CC2NCCCc2ccccc2)n1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.63
SIGMAR1 Q99720 3/20 0.39
GRIN2B Q13224 1/20 0.38
JAK1 P23458 1/20 0.36
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DRD2 P14416 1/20 0.35
GLS O94925 1/20 0.35
P2RX7 Q99572 1/20 0.35
CCR2 P41597 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
SCHEMBL2600827 0.91 NOS1 (0.51) NOS1SIGMAR1GRIN2BDRD2GLS
SCHEMBL2112654 0.85 GRIN2B (0.42) NOS1GRIN2BJAK1KMT2AL3MBTL1
SCHEMBL2600819 0.85 GRIN2B (0.42) NOS1GRIN2BJAK1KMT2AL3MBTL1
SCHEMBL2600817 0.85 GRIN2B (0.42) NOS1GRIN2BJAK1KMT2AL3MBTL1
SCHEMBL2600834 0.79 NOS1 (0.40) NOS1GLSCCR2
SCHEMBL12385411 0.78 NOS1 (1.00) NOS1
SCHEMBL10325876 0.78 NOS1 (1.00) NOS1
SCHEMBL2600856 0.77 NOS1 (0.44) NOS1SIGMAR1DRD2CCR2
SCHEMBL2112853 0.77 GRIN2B (0.41) GRIN2BJAK1KMT2AL3MBTL1DRD2
SCHEMBL2600821 0.73 DRD2 (0.42) SIGMAR1GRIN2BJAK1DRD2CCR2

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 NOS1 1/4885SIGMAR1 1034/4885GRIN2B 46/4885
US-20080108814-A1 Potent and highly selective heteroaromatic inhibitors of neuronal nitric oxide synthase NOS1, NOS2, NOS3 NOS1 1/4885SIGMAR1 896/4885GRIN2B 65/4885

“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.