SCHEMBL6620875

SCHEMBL6620875

Nc1cccc(-c2ccc(CCN3CC4C(C3)C4C(=O)O)cc2)n1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 7/20 0.63
NOS3 P29474 6/20 0.63
CHRM2 P08172 1/20 0.61
CHRM4 P08173 1/20 0.61
HTR1A P08908 1/20 0.48
DRD2 P14416 1/20 0.48
HTR2A P28223 1/20 0.48
ASIC3 Q9UHC3 1/20 0.41
PRCP P42785 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
BRS3 P32247 1/20 0.36
LTA4H P09960 1/20 0.35
S1PR1 P21453 2/20 0.34
S1PR5 Q9H228 1/20 0.34
PARP1 P09874 1/20 0.34
S1PR3 Q99500 1/20 0.34

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
SCHEMBL6620274 0.85 NOS1 (0.58) NOS1NOS3CHRM2CHRM4HTR1A
SCHEMBL6618324 0.85 NOS1 (0.60) NOS1NOS3CHRM2CHRM4HTR1A
SCHEMBL6617498 0.84 NOS1 (0.67) NOS1NOS3CHRM2CHRM4HTR1A
SCHEMBL6700069 0.83 NOS1 (0.65) NOS1NOS3CHRM2CHRM4HTR1A
SCHEMBL6621121 0.82 NOS1 (0.56) NOS1NOS3CHRM2CHRM4HTR1A
SCHEMBL6622214 0.81 NOS1 (0.57) NOS1NOS3CHRM2CHRM4HTR1A
SCHEMBL6620328 0.81 NOS1 (0.61) NOS1NOS3CHRM2CHRM4HTR1A
SCHEMBL6618903 0.79 NOS1 (0.55) NOS1NOS3CHRM2CHRM4HTR1A
SCHEMBL6620464 0.79 NOS1 (0.66) NOS1NOS3CHRM2CHRM4HTR1A
SCHEMBL6622079 0.79 NOS1 (0.78) NOS1NOS3CHRM2CHRM4HTR1A

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-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

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.