SCHEMBL6620946

SCHEMBL6620946

Nc1cccc(-c2ccc(CCN3CCC(N)(C(=O)NCc4ccccc4)CC3)cc2)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 7/20 0.66
NOS3 P29474 6/20 0.66
CHRM2 P08172 1/20 0.61
CHRM4 P08173 1/20 0.61
HTR2A P28223 3/20 0.47
HTR1A P08908 1/20 0.47
DRD2 P14416 1/20 0.47
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42
PRCP P42785 3/20 0.40
EPHX1 P07099 1/20 0.39
CYP2D6 P10635 1/20 0.39
EPHX2 P34913 1/20 0.39
METAP2 P50579 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
NPFFR1 Q9GZQ6 1/20 0.38
NPFFR2 Q9Y5X5 1/20 0.38
CA12 O43570 1/20 0.38

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
SCHEMBL6623818 0.92 NOS1 (0.66) NOS1NOS3CHRM2CHRM4HTR2A
SCHEMBL6619199 0.87 NOS1 (0.69) NOS1NOS3CHRM2CHRM4HTR2A
SCHEMBL6618666 0.85 NOS1 (0.74) NOS1NOS3CHRM2CHRM4HTR2A
SCHEMBL6618553 0.83 NOS1 (0.64) NOS1NOS3CHRM2CHRM4HTR2A
Benzamide SCHEMBL27486130 0.83 NOS1 (0.66) NOS1NOS3CHRM2CHRM4HTR2A
SCHEMBL6618161 0.81 NOS1 (1.00) NOS1NOS3CHRM2CHRM4HTR2A
SCHEMBL6620712 0.80 NOS1 (0.60) NOS1NOS3CHRM2CHRM4HTR2A
SCHEMBL6620793 0.80 NOS1 (0.59) NOS1NOS3CHRM2CHRM4HTR2A
SCHEMBL6620376 0.78 NOS1 (0.67) NOS1NOS3CHRM2CHRM4HTR2A
SCHEMBL6622079 0.77 NOS1 (0.78) NOS1NOS3CHRM2CHRM4HTR2A

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.