SCHEMBL4961995

SCHEMBL4961995

NC(=O)C1(N)CCCC1N

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 3/20 0.35
ARG2 P78540 2/20 0.35
GRM8 O00222 1/20 0.31
GRM6 O15303 1/20 0.31
GRM2 Q14416 1/20 0.31
GRM3 Q14832 1/20 0.31
NSD2 O96028 1/20 0.30

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
SCHEMBL9180035 0.93 EPHX1 (0.31) ARG1ARG2
SCHEMBL9180033 0.93 EPHX1 (0.31) ARG1ARG2
SCHEMBL7752047 0.82 GRM2 (0.47) ARG1ARG2GRM8GRM6GRM2
SCHEMBL28293278 0.77 ARG1 (0.32) ARG1ARG2GRM8GRM6GRM2
SCHEMBL28559929 0.76 ARG1 (0.34) ARG1ARG2GRM8GRM6GRM2
SCHEMBL2939527 0.76 GRM2 (0.46) ARG1ARG2GRM8GRM6GRM2
SCHEMBL7135246 0.76 GRM2 (0.46) ARG1ARG2GRM8GRM6GRM2
SCHEMBL28434000 0.74 GRM2 (0.44) ARG1ARG2GRM8GRM6GRM2
SCHEMBL22081796 0.73
SCHEMBL22081801 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050159363-A1 Selective neuronal nitric oxide synthase inhibitors SILVERMAN RICHARD B (US) 2005-07-21 US claimed
US-6803486-B2 PEPTIDOMIMETIC; N-AMINOBUTYL-N'-NITROGUANIDINE DERIVATIVES NORTHWESTERN UNIVERSITY 2004-10-12 US claimed
US-20030119751-A1 Selective neuronal nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY 2003-06-26 US claimed
WO-2003000198-A2 SELECTIVE NEURONAL NITRIC OXIDE SYNTHASE INHIBITORS NORTHWESTERN UNIVERSITY (US) 2003-01-03 WO claimed
US-7470815-B1 Selective neuronal nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2008-12-30 US disclosed
US-20050159363-A1 Selective neuronal nitric oxide synthase inhibitors SILVERMAN RICHARD B (US) 2005-07-21 US disclosed
US-6803486-B2 PEPTIDOMIMETIC; N-AMINOBUTYL-N'-NITROGUANIDINE DERIVATIVES NORTHWESTERN UNIVERSITY 2004-10-12 US disclosed
US-20030119751-A1 Selective neuronal nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY 2003-06-26 US disclosed
WO-2003000198-A2 SELECTIVE NEURONAL NITRIC OXIDE SYNTHASE INHIBITORS NORTHWESTERN UNIVERSITY (US) 2003-01-03 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-20050159363-A1 Selective neuronal nitric oxide synthase inhibitors NOS1, NOS3, NOS2 ARG1 91/4885ARG2 154/4885GRM8 213/4885
US-20030119751-A1 Selective neuronal nitric oxide synthase inhibitors NOS1, NOS3, NOS2 ARG1 91/4885ARG2 154/4885GRM8 213/4885

“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.