SCHEMBL6630895

SCHEMBL6630895

Nc1cccc(-c2ccc(CCNC3CC4CCC(C3)N4)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 7/20 0.46
NOS3 P29474 6/20 0.46
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
KCNH2 Q12809 1/20 0.39
ASIC3 Q9UHC3 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
BRS3 P32247 1/20 0.39
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.35
CTSC P53634 2/20 0.35
GRIN2B Q13224 2/20 0.34
PDPK1 O15530 1/20 0.34
USP28 Q96RU2 1/20 0.33
USP25 Q9UHP3 1/20 0.33
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 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
SCHEMBL6621811 0.90 NOS1 (0.44) NOS1NOS3SLC6A2SLC6A4KCNH2
SCHEMBL6632677 0.83 NOS1 (0.48) NOS1NOS3ASIC3CHRM2CHRM4
SCHEMBL6650407 0.82 NOS1 (0.51) NOS1NOS3ASIC3CHRM2CHRM4
SCHEMBL6622045 0.80 GRIN2B (0.57) NOS1NOS3ASIC3CHRM2CHRM4
SCHEMBL6629888 0.80 NOS1 (0.45) NOS1NOS3ASIC3CHRM2CHRM4
SCHEMBL6630681 0.78 NOS1 (0.52) NOS1NOS3KCNH2ASIC3CHRM2
SCHEMBL6630596 0.78 NOS1 (0.43) NOS1NOS3CHRM2CHRM4HTR1A
SCHEMBL6620465 0.77 GRIN2B (0.62) NOS1NOS3ASIC3GRIN2B
SCHEMBL6630688 0.77 NOS1 (0.43) NOS1NOS3
SCHEMBL6630960 0.76 NOS1 (0.51) NOS1NOS3ASIC3CHRM2CHRM4

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
EP-1471055-A1 6-phenylpyridyl-2-amine derivatives PFIZER INC. (US) 2004-10-27 EP claimed
US-6235747-B1 NITRIC OXIDE SYNTHASE INHIBITOR PFIZER INC. 2001-05-22 US claimed
EP-1471055-A1 6-phenylpyridyl-2-amine derivatives PFIZER INC. (US) 2004-10-27 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

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 2/4885SLC6A2 47/4885

“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.