SCHEMBL7479529

SCHEMBL7479529

CC(C)Oc1cc(CBr)ccc1-c1cccc(NC(=O)C(C)(C)C)n1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.36
MAP3K5 Q99683 9/20 0.36
CNR1 P21554 1/20 0.35
LMNA P02545 1/20 0.35
MCL1 Q07820 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
SCN9A Q15858 1/20 0.33
KCNK3 O14649 1/20 0.33
KCNK9 Q9NPC2 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33

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
SCHEMBL7473861 0.87 ABL1 (0.35) ADORA1MAP3K5CNR1LMNAMCL1
SCHEMBL7477975 0.85 MAP3K5 (0.40) ADORA1MAP3K5MCL1ALDH1A1KCNK3
SCHEMBL7473183 0.82 ADORA1 (0.37) ADORA1MAP3K5CNR1LMNAMCL1
SCHEMBL7480623 0.82 ADORA1 (0.39) ADORA1CNR1LMNASMN1; SMN2SCN9A
SCHEMBL7473138 0.79 MAP3K5 (0.36) ADORA1MAP3K5CNR1MCL1ALDH1A1
SCHEMBL7479491 0.74 TP53 (0.40) ADORA1MAP3K5CNR1LMNASMN1; SMN2
SCHEMBL7480247 0.74 GRIN2B (0.40)
SCHEMBL8275667 0.69 NOS1 (0.46) ADORA1CNR1LMNAALDH1A1SMN1; SMN2
SCHEMBL317651 0.68 ADORA1 (0.43) ADORA1SMN1; SMN2
SCHEMBL7478159 0.68 MAP3K5 (0.45) ADORA1MAP3K5LMNA

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 ADORA1 196/4885MAP3K5 1197/4885CNR1 214/4885
US-20020151572-A1 PHARMACEUTICAL USES FOR NOS INHIBITORS NOS1, NOS3, NOS2 ADORA1 857/4885MAP3K5 1935/4885CNR1 133/4885

“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.