SCHEMBL6583013

SCHEMBL6583013

COc1cc(OCC(=O)N2CC3C(N)C3C2)ccc1-c1cccc(N)n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CBX7 O95931 2/20 0.41
NOS1 P29475 9/20 0.40
NOS3 P29474 5/20 0.40
ALDH1A1 P00352 2/20 0.39
TP53 P04637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 1/20 0.39
NOS2 P35228 1/20 0.39
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL221453 0.95 NOS1 (0.41) CBX7NOS1NOS3ALDH1A1GAA
SCHEMBL4290837 0.92 LMNA (0.41) CBX7NOS1NOS3ALDH1A1TP53
SCHEMBL957006 0.85 NOS3 (0.48) NOS1NOS3ALDH1A1NOS2KDM4E
SCHEMBL6583956 0.83 NOS1 (0.48) NOS1NOS3NOS2
SCHEMBL6585074 0.81 ACACA (0.50) NOS1NOS3KDM4EMEN1KMT2A
SCHEMBL6583088 0.79 NOS1 (0.40) CBX7NOS1NOS3ALDH1A1TP53
SCHEMBL4282766 0.76 NOS1 (0.53) NOS1NOS3GAANOS2KDM4E
SCHEMBL6583260 0.75 NOS1 (0.42) NOS1NOS3ALDH1A1NOS2KDM4E
SCHEMBL221914 0.75 NOS3 (0.63) NOS1NOS3ALDH1A1NOS2KDM4E
SCHEMBL222427 0.75 NOS3 (0.48) NOS1NOS3TP53NOS2KDM4E

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-20040229911-A1 New pharmaceutical combinations for NOS inhibitors PFIZER INC 2004-11-18 US claimed
US-20030045449-A1 Pharmaceutical combinations for the treatment of neurodegenerative diseases PFIZER, INC. 2003-03-06 US claimed
US-20040229911-A1 New pharmaceutical combinations for NOS inhibitors PFIZER INC 2004-11-18 US disclosed
EP-0958282-B1 2-AMINO-6-(2-SUBSTITUTED-4-PHENOXY)-SUBSTITUTED-PYRIDINES PFIZER PROD INC (US) 2004-07-21 EP disclosed
US-20030162765-A1 Use in treatment and prevention of central nervous system and other disorders PFIZER INC. 2003-08-28 US disclosed
EP-1178784-A1 NEW PHARMACEUTICAL COMBINATIONS FOR NOS INHIBITORS Pfizer Products Inc. (US) 2002-02-13 EP disclosed
WO-2000071107-A2 NEW PHARMACEUTICAL COMBINATIONS FOR NOS INHIBITORS PFIZER PRODUCTS INC. (US) 2000-11-30 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 (3 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-20030045449-A1 Pharmaceutical combinations for the treatment of neurodegenerative diseases GRIN3A, GRIN1, CHRNA10 CBX7 4793/4885NOS1 110/4885NOS3 157/4885
US-20040229911-A1 New pharmaceutical combinations for NOS inhibitors NOS1, NOS3, NPBWR1 CBX7 4734/4885NOS1 1/4885NOS3 2/4885
US-20030162765-A1 Use in treatment and prevention of central nervous system and other disorders GRIN2C, GRIN2A, CNR2 CBX7 1593/4885NOS1 2484/4885NOS3 2496/4885

“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.