SCHEMBL6582573

SCHEMBL6582573

COc1cc(OCC2CCCN2C)ccc1-c1cccc(N)n1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.67
NOS1 P29475 1/20 0.67
NOS2 P35228 1/20 0.67
CHRNB4 P30926 5/20 0.58
CHRNA3 P32297 5/20 0.58
CHRNB2 P17787 3/20 0.52
CHRNA4 P43681 1/20 0.52
CHRNB1 P11230 2/20 0.50
CHRNB3 Q05901 2/20 0.50
CHEK1 O14757 3/20 0.49

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
SCHEMBL218547 0.86 NOS3 (0.52) NOS3NOS1NOS2CHRNB4CHRNA3
SCHEMBL3435522 0.82 NOS3 (0.47) NOS3NOS1NOS2CHRNB4CHRNA3
SCHEMBL5833762 0.81 NOS3 (1.00) NOS3NOS1NOS2CHRNB4CHRNA3
SCHEMBL13849433 0.79 CHRNB4 (0.66) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL221914 0.79 NOS3 (0.63) NOS3NOS1NOS2
SCHEMBL221387 0.78 NOS1 (0.46) NOS3NOS1NOS2
SCHEMBL5833036 0.78 NOS3 (0.94) NOS3NOS1NOS2CHRNB4CHRNA3
SCHEMBL13849434 0.77 CHRNB4 (0.66) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL221859 0.76 NOS1 (0.57) NOS3NOS1NOS2CHEK1
SCHEMBL13849332 0.76 CHRNB4 (0.67) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1

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 11 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
JP-2003523941-A 2003-08-12 JP claimed
US-20030045449-A1 Pharmaceutical combinations for the treatment of neurodegenerative diseases PFIZER, INC. 2003-03-06 US claimed
EP-1178784-A1 NEW PHARMACEUTICAL COMBINATIONS FOR NOS INHIBITORS Pfizer Products Inc. (US) 2002-02-13 EP claimed
WO-2000071107-A2 NEW PHARMACEUTICAL COMBINATIONS FOR NOS INHIBITORS PFIZER PRODUCTS INC. (US) 2000-11-30 WO 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
US-20010007873-A1 Compounds such as 4-(6-amino-pyridin-2-yl)-3-methoxyphenol as nitric oxide synthase inhibitors used to treat central nervous system disorders, inflammatory disorders, septic shock, etc... PFIZER INC. 2001-07-12 US 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 (4 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 NOS3 157/4885NOS1 110/4885NOS2 192/4885
US-20010007873-A1 Compounds such as 4-(6-amino-pyridin-2-yl)-3-methoxyphenol as nitric oxide synthase inhibitors used to treat central nervous system disorders, inflammatory disorders, septic shock, etc... NOS1, PTGS1, NOS2 NOS3 4/4885NOS1 1/4885NOS2 3/4885
US-20040229911-A1 New pharmaceutical combinations for NOS inhibitors NOS1, NOS3, NPBWR1 NOS3 2/4885NOS1 1/4885NOS2 6/4885
US-20030162765-A1 Use in treatment and prevention of central nervous system and other disorders GRIN2C, GRIN2A, CNR2 NOS3 2496/4885NOS1 2484/4885NOS2 2428/4885

“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.