SCHEMBL6622045

SCHEMBL6622045

Nc1cccc(-c2ccc(CCNC3Cc4ccccc4C3)cc2)n1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 7/20 0.57
NOS1 P29475 7/20 0.52
NOS3 P29474 6/20 0.52
SIGMAR1 Q99720 3/20 0.48
ASIC3 Q9UHC3 1/20 0.45
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
BRS3 P32247 1/20 0.39

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
SCHEMBL6620465 0.92 GRIN2B (0.62) GRIN2BNOS1NOS3SIGMAR1ASIC3
SCHEMBL6619933 0.87 NOS1 (0.48) GRIN2BNOS1NOS3SIGMAR1ASIC3
SCHEMBL6622661 0.85 GRIN2B (0.63) GRIN2BNOS1NOS3SIGMAR1POLB
SCHEMBL6632677 0.81 NOS1 (0.48) GRIN2BNOS1NOS3ASIC3CHRM2
SCHEMBL6630895 0.80 NOS1 (0.46) GRIN2BNOS1NOS3ASIC3CHRM2
SCHEMBL6632307 0.78 NOS1 (0.60) NOS1NOS3KMT2ACHRM2CHRM4
SCHEMBL6650407 0.78 NOS1 (0.51) NOS1NOS3ASIC3CHRM2CHRM4
SCHEMBL6629888 0.78 NOS1 (0.45) NOS1NOS3ASIC3CHRM2CHRM4
SCHEMBL6618736 0.77 NOS1 (0.64) NOS1NOS3SIGMAR1ASIC3CHRM2
SCHEMBL6621811 0.77 NOS1 (0.44) GRIN2BNOS1NOS3ASIC3CHRM2

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
EP-1471055-A1 6-phenylpyridyl-2-amine derivatives PFIZER INC. (US) 2004-10-27 EP disclosed
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 GRIN2B 72/4885NOS1 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.