SCHEMBL6622698

SCHEMBL6622698

Nc1cccc(-c2ccc(CCN3Cc4ccccc4CC3C(=O)O)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 7/20 0.56
NOS3 P29474 6/20 0.56
CHRM2 P08172 1/20 0.56
CHRM4 P08173 1/20 0.56
MMP8 P22894 5/20 0.46
MMP3 P08254 3/20 0.46
MMP13 P45452 1/20 0.46
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
ASIC3 Q9UHC3 1/20 0.40
GRM2 Q14416 1/20 0.39
CHEK1 O14757 1/20 0.38
JAK2 O60674 1/20 0.38
ACE P12821 4/20 0.37

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
SCHEMBL7536221 0.81 GRM2 (0.51) MMP8MMP3MMP13GRM2ACE
SCHEMBL7536224 0.81 GRM2 (0.51) MMP8MMP3MMP13GRM2ACE
SCHEMBL6622606 0.78 NOS1 (0.74) NOS1NOS3CHRM2CHRM4HTR1A
SCHEMBL6620875 0.73 NOS1 (0.63) NOS1NOS3CHRM2CHRM4HTR1A
SCHEMBL6620524 0.73 NOS1 (0.70) NOS1NOS3CHRM2CHRM4HTR1A
SCHEMBL6620545 0.72 NOS1 (1.00) NOS1NOS3CHRM2CHRM4HTR1A
SCHEMBL6621573 0.72 NOS1 (0.77) NOS1NOS3CHRM2CHRM4HTR1A
SCHEMBL6618161 0.71 NOS1 (1.00) NOS1NOS3CHRM2CHRM4HTR1A
SCHEMBL6622079 0.70 NOS1 (0.78) NOS1NOS3CHRM2CHRM4HTR1A
SCHEMBL6622045 0.70 GRIN2B (0.57) 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.