SCHEMBL6620164

SCHEMBL6620164

CC(C)(C)OC(=O)NC1C2CN(CCc3ccccc3-c3cccc(N)n3)CC21

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.44
NOS1 P29475 7/20 0.37
NOS3 P29474 6/20 0.36
SCN9A Q15858 2/20 0.36
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
NOS2 P35228 2/20 0.35
DRD2 P14416 2/20 0.35
KCNA3 P22001 1/20 0.35
CCR5 P51681 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
JAK1 P23458 1/20 0.34
PDCD1LG2 Q9BQ51 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
BRD4 O60885 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
SCHEMBL6620172 0.84 NOS1 (0.55) HRH3NOS1NOS3SCN9ACHRM2
SCHEMBL6622691 0.79 NOS1 (0.47) NOS1NOS3CHRM2CHRM4NOS2
SCHEMBL22248865 0.69 HRH3 (0.45) HRH3DRD2KCNA3
SCHEMBL8919552 0.68 KMT2A (0.57) HRH3KCNA3JAK1
SCHEMBL6619732 0.68 NOS1 (0.50) NOS1NOS3CHRM2CHRM4NOS2
SCHEMBL21499091 0.67 HRH3 (0.41) HRH3HDAC3HDAC1HDAC2JAK1
SCHEMBL29686800 0.67 HRH3 (0.41) HRH3HDAC3HDAC1HDAC2JAK1
SCHEMBL5360042 0.67 HRH3 (0.49) HRH3DRD2
SCHEMBL5833939 0.66 NOS1 (0.52) HRH3NOS1NOS3CHRM2CHRM4
SCHEMBL30965804 0.66 DRD2 (0.43) HRH3DRD2KCNA3CCR5

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-6235747-B1 NITRIC OXIDE SYNTHASE INHIBITOR PFIZER INC. 2001-05-22 US claimed
EP-0891332-B1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES PFIZER (US) 2004-03-17 EP disclosed
US-6465491-B2 NITRIC OXIDE SYNTHASE INHIBITOR; NERVOUS SYSTEM DISORDERS PFIZER INC. 2002-10-15 US disclosed
US-20010034348-A1 6-phenylpyridyl-2-amine derivatives LOWE JOHN A (US) 2001-10-25 US disclosed
US-6235747-B1 NITRIC OXIDE SYNTHASE INHIBITOR PFIZER INC. 2001-05-22 US disclosed
EP-0891332-A1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES PFIZER INC. (US) 1999-01-20 EP disclosed
WO-1997036871-A1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES PFIZER INC. (US) 1997-10-09 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 (1 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-20010034348-A1 6-phenylpyridyl-2-amine derivatives NOS2, NOS3, NOS1 HRH3 1765/4885NOS1 3/4885NOS3 2/4885

“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.