SCHEMBL6296472

SCHEMBL6296472

CCOc1cc(CCNC(=O)CC2CCCCN2c2nc(Cn3ccnc3)ncc2CC)ccc1OC

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 14/20 0.59
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
MAPT P10636 1/20 0.40
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL7060293 0.89 NOS2 (0.71) NOS2
SCHEMBL7059749 0.82 NOS2 (0.54) NOS2
SCHEMBL5195165 0.82 NOS2 (0.62) NOS2CTSLCTSSCTSKGAA
SCHEMBL6296471 0.82 NOS2 (0.68) NOS2
SCHEMBL5195163 0.81 NOS2 (0.69) NOS2
SCHEMBL5190161 0.79 NOS2 (0.92) NOS2
SCHEMBL5190715 0.79 NOS2 (0.62) NOS2GAA
SCHEMBL5191333 0.78 NOS2 (0.78) NOS2
SCHEMBL5190708 0.78 NOS2 (0.69) NOS2
SCHEMBL5195158 0.77 NOS2 (0.75) NOS2

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-6864263-B2 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2005-03-08 US disclosed
US-6846829-B2 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2005-01-25 US disclosed
US-6747031-B2 MUSCLE RELAXANTS, CONTROLLING IMMUNOLOGY, STROKES, ANTIDIABETIC AGENTS BERLEX LABORATORIES, INC. 2004-06-08 US disclosed
US-6670473-B2 Inhibitors of nitric oxide synthase (nos) BERLEX LABORATORIES, INC. 2003-12-30 US disclosed
US-20030078265-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2003-04-24 US disclosed
US-20030060452-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2003-03-27 US disclosed
US-20030027794-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2003-02-06 US disclosed
US-20030004137-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2003-01-02 US disclosed
US-20020183323-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. 2002-12-05 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-20030060452-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 NOS2 2/4885CTSL 3697/4885CTSS 1934/4885
US-20030004137-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 NOS2 2/4885CTSL 3697/4885CTSS 1934/4885
US-20030078265-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 NOS2 2/4885CTSL 3697/4885CTSS 1934/4885
US-20030027794-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 NOS2 2/4885CTSL 3697/4885CTSS 1934/4885
US-20020183323-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 NOS2 2/4885CTSL 3697/4885CTSS 1934/4885

“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.