SCHEMBL7478723

SCHEMBL7478723

CC(C)CN1CCC(c2ccc(-c3cccc(N)n3)c(F)c2)C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 8/20 0.43
NOS1 P29475 8/20 0.43
NOS2 P35228 7/20 0.38
TLR8 Q9NR97 6/20 0.38
TLR7 Q9NYK1 6/20 0.38
TLR9 Q9NR96 5/20 0.38
FEN1 P39748 1/20 0.36
CCNT1 O60563 1/20 0.36
DRD2 P14416 2/20 0.35
HTR2A P28223 1/20 0.35
HRH1 P35367 1/20 0.35
DRD3 P35462 1/20 0.34

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
SCHEMBL6699029 0.85 NOS1 (0.41) NOS3NOS1NOS2TLR8TLR7
SCHEMBL6703553 0.84 NOS3 (0.46) NOS3NOS1NOS2
SCHEMBL6699975 0.83 NOS3 (0.46) NOS3NOS1NOS2
SCHEMBL6699114 0.83 NOS3 (0.45) NOS3NOS1NOS2TLR8
SCHEMBL6702574 0.82 NOS3 (0.44) NOS3NOS1NOS2
SCHEMBL6702828 0.82 NOS3 (0.45) NOS3NOS1NOS2
SCHEMBL6697919 0.82 NOS3 (0.45) NOS3NOS1NOS2
SCHEMBL6697645 0.82 NOS1 (0.60) NOS3NOS1TLR8TLR7TLR9
SCHEMBL6618478 0.76 NOS1 (0.69) NOS3NOS1NOS2DRD2HTR2A
SCHEMBL7480031 0.72 MAP4K4 (0.47) NOS3NOS1NOS2FEN1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020151572-A1 PHARMACEUTICAL USES FOR NOS INHIBITORS LOWE JOHN A (US) 2002-10-17 US disclosed
EP-1007512-B1 BRANCHED ALKOXY-SUBSITUTED 2-AMINOPYRIDINES AS NOS INHIBITORS PFIZER PROD INC (US) 2002-04-03 EP disclosed
US-6362195-B1 INHIBITOR OF NITRIC OXIDE SYNTHASE; CENTRAL NERVOUS SYSTEM DISORDERS PFIZER INC. 2002-03-26 US disclosed
US-20020022642-A1 Branched alkoxy-subsituted 2-aminopyridines LOWE JOHN ADAMS (US) 2002-02-21 US disclosed
EP-1109556-A2 NEW PHARMACEUTICAL USES FOR NOS INHIBITORS Pfizer Products Inc. (US) 2001-06-27 EP disclosed
EP-1007512-A1 BRANCHED ALKOXY-SUBSITUTED 2-AMINOPYRIDINES AS NOS INHIBITORS Pfizer Products Inc. (US) 2000-06-14 EP disclosed
WO-2000009130-A2 NEW PHARMACEUTICAL USES FOR NOS INHIBITORS PFIZER PRODUCTS INC. (US) 2000-02-24 WO disclosed
WO-1999011620-A1 BRANCHED ALKOXY-SUBSITUTED 2-AMINOPYRIDINES AS NOS INHIBITORS PFIZER PRODUCTS INC. (US) 1999-03-11 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-20020022642-A1 Branched alkoxy-subsituted 2-aminopyridines NOS3, NOS2, PNMT NOS3 1/4885NOS1 4/4885NOS2 2/4885
US-20020151572-A1 PHARMACEUTICAL USES FOR NOS INHIBITORS NOS1, NOS3, NOS2 NOS3 2/4885NOS1 1/4885NOS2 3/4885

“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.