SCHEMBL6583088

SCHEMBL6583088

COc1cc(OCC(=O)N2C(C)(C)CCCC2(C)C)ccc1-c1cccc(N)n1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 12/20 0.40
NOS3 P29474 8/20 0.40
CBX7 O95931 1/20 0.39
CPT2 P23786 1/20 0.37
CPT1A P50416 1/20 0.37
POLB P06746 1/20 0.36
NOS2 P35228 4/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35

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 0.89 NOS3 (0.52) NOS1NOS3NOS2
SCHEMBL5574244 0.88 NOS1 (0.33) NOS1NOS3CBX7CPT2CPT1A
SCHEMBL218548 0.88 PDCD1LG2 (0.36) NOS1NOS3CBX7CPT2CPT1A
SCHEMBL6584378 0.82 NOS1 (0.44) NOS1NOS3NOS2
SCHEMBL6585074 0.81 ACACA (0.50) NOS1NOS3POLB
SCHEMBL422891 0.80 NOS1 (0.41) NOS1NOS3NOS2
SCHEMBL6583013 0.79 CBX7 (0.41) NOS1NOS3CBX7NOS2ALDH1A1
SCHEMBL221453 0.75 NOS1 (0.41) NOS1NOS3CBX7NOS2ALDH1A1
SCHEMBL4282766 0.74 NOS1 (0.53) NOS1NOS3NOS2
SCHEMBL422892 0.73 NOS1 (0.36) NOS1NOS3NOS2HRH3

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 6 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
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

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 NOS1 110/4885NOS3 157/4885CBX7 4793/4885
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 NOS1 1/4885NOS3 4/4885CBX7 3722/4885
US-20040229911-A1 New pharmaceutical combinations for NOS inhibitors NOS1, NOS3, NPBWR1 NOS1 1/4885NOS3 2/4885CBX7 4734/4885
US-20030162765-A1 Use in treatment and prevention of central nervous system and other disorders GRIN2C, GRIN2A, CNR2 NOS1 2484/4885NOS3 2496/4885CBX7 1593/4885

“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.