SCHEMBL6620172

SCHEMBL6620172

CC(C)(C)OC(=O)NC1C2CN(CCc3ccc(-c4cccc(N)n4)cc3)CC21

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 7/20 0.55
NOS3 P29474 6/20 0.53
CHRM2 P08172 1/20 0.50
CHRM4 P08173 1/20 0.50
DRD2 P14416 2/20 0.44
HRH3 Q9Y5N1 1/20 0.44
HTR1A P08908 1/20 0.44
HTR2A P28223 1/20 0.44
SCN9A Q15858 1/20 0.41
JAK1 P23458 1/20 0.41
BRS3 P32247 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
ACACB O00763 1/20 0.37
ACACA Q13085 1/20 0.37
AVPR1B P47901 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
SCHEMBL6620164 0.84 HRH3 (0.44) NOS1NOS3CHRM2CHRM4DRD2
SCHEMBL6621121 0.81 NOS1 (0.56) NOS1NOS3CHRM2CHRM4DRD2
SCHEMBL6622214 0.80 NOS1 (0.57) NOS1NOS3CHRM2CHRM4DRD2
SCHEMBL6618903 0.80 NOS1 (0.55) NOS1NOS3CHRM2CHRM4DRD2
SCHEMBL6620875 0.79 NOS1 (0.63) NOS1NOS3CHRM2CHRM4DRD2
SCHEMBL6622693 0.79 NOS1 (0.67) NOS1NOS3CHRM2CHRM4DRD2
SCHEMBL22248865 0.78 HRH3 (0.45) DRD2HRH3
SCHEMBL6620274 0.78 NOS1 (0.58) NOS1NOS3CHRM2CHRM4DRD2
SCHEMBL6617498 0.77 NOS1 (0.67) NOS1NOS3CHRM2CHRM4DRD2
SCHEMBL6620464 0.76 NOS1 (0.66) NOS1NOS3CHRM2CHRM4DRD2

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 NOS1 3/4885NOS3 2/4885CHRM2 151/4885

“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.