SCHEMBL6622654

SCHEMBL6622654

Nc1cccc(-c2ccc(CCN3CCN(C(=O)NC4CCCCC4)CC3)cc2)n1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 7/20 0.63
NOS3 P29474 6/20 0.63
CHRM2 P08172 1/20 0.59
CHRM4 P08173 1/20 0.59
HTR1A P08908 1/20 0.50
DRD2 P14416 1/20 0.50
HTR2A P28223 1/20 0.50
POLB P06746 2/20 0.46
PKM P14618 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
CHRM3 P20309 1/20 0.42
RAB9A P51151 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
SMO Q99835 1/20 0.42

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
SCHEMBL6619969 0.85 NOS1 (0.57) NOS1NOS3CHRM2CHRM4HTR1A
SCHEMBL6618905 0.85 NOS1 (0.67) NOS1NOS3CHRM2CHRM4HTR1A
SCHEMBL7962217 0.83 NOS1 (0.70) NOS1NOS3CHRM2CHRM4HTR1A
SCHEMBL6622079 0.82 NOS1 (0.78) NOS1NOS3CHRM2CHRM4HTR1A
SCHEMBL6617714 0.82 NOS1 (0.70) NOS1NOS3CHRM2CHRM4HTR1A
SCHEMBL27485458 0.82 NOS1 (0.63) NOS1NOS3CHRM2CHRM4HTR1A
SCHEMBL27484753 0.81 NOS1 (0.63) NOS1NOS3CHRM2CHRM4HTR1A
SCHEMBL6619070 0.81 NOS1 (0.79) NOS1NOS3CHRM2CHRM4HTR1A
SCHEMBL7962225 0.81 NOS1 (0.72) NOS1NOS3CHRM2CHRM4HTR1A
SCHEMBL6620438 0.81 NOS1 (0.73) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.