SCHEMBL6698655

SCHEMBL6698655

Nc1cccc(-c2ccc(C3(O)C4CCC3CNC4)cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.44
NOS1 P29475 7/20 0.40
NOS3 P29474 6/20 0.40
P2RY14 Q15391 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
PDPK1 O15530 1/20 0.37
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
BRS3 P32247 1/20 0.33
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
IDH1 O75874 1/20 0.32

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
SCHEMBL6702538 0.79 NOS1 (0.49) ASIC3NOS1NOS3P2RY14CHRM2
SCHEMBL6703459 0.78 P2RY14 (0.35) ASIC3P2RY14TMEM97SIGMAR1ALDH1A1
SCHEMBL6703457 0.77 RARG (0.38) P2RY14TMEM97SIGMAR1ALDH1A1POLB
SCHEMBL6701030 0.77 NOS1 (0.53) ASIC3NOS1NOS3P2RY14CHRM2
SCHEMBL6700994 0.73 NOS1 (0.36) ASIC3NOS1NOS3P2RY14SIGMAR1
SCHEMBL10007713 0.71 GAA (0.40) P2RY14TMEM97SIGMAR1
SCHEMBL7086968 0.71 ASIC3 (0.32) ASIC3
SCHEMBL6757805 0.70 CHRNB2 (0.37) P2RY14TMEM97SIGMAR1ALDH1A1CHRM2
SCHEMBL6695621 0.68 ASIC3 (0.50) ASIC3NOS1NOS3SIGMAR1PDPK1
SCHEMBL8082146 0.66 MAPT (0.72) ASIC3NOS1NOS3PDPK1ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142924-A1 6-Phenylpyridyl-2-amine derivatives useful as NOS inhibitors PFIZER INC 2004-07-22 US disclosed
EP-0946512-B1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES USEFUL AS NOS INHIBITORS PFIZER (US) 2003-10-08 EP disclosed
US-20020103227-A1 6-Phenylpyridyl-2-amine derivatives useful as NOS inhibitors LOWE JOHN A (US) 2002-08-01 US disclosed
US-20020032191-A1 6-phenylpyridyl-2-amine derivatives useful as NOS inhibitors LOWE JOHN A (US) 2002-03-14 US disclosed
US-6235750-B1 NITRIC OXIDE SYNTHASE INHIBITOR PFIZER INC 2001-05-22 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 (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-20020032191-A1 6-phenylpyridyl-2-amine derivatives useful as NOS inhibitors NOS1, NOS2, NOS3 ASIC3 3793/4885NOS1 1/4885NOS3 3/4885
US-20040142924-A1 6-Phenylpyridyl-2-amine derivatives useful as NOS inhibitors NOS1, NOS2, NOS3 ASIC3 3793/4885NOS1 1/4885NOS3 3/4885
US-20020103227-A1 6-Phenylpyridyl-2-amine derivatives useful as NOS inhibitors NOS1, NOS2, NOS3 ASIC3 3793/4885NOS1 1/4885NOS3 3/4885

“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.