SCHEMBL6618903

SCHEMBL6618903

Nc1cccc(-c2ccc(CCN3CC4C(C3)C4NC(=O)Cc3ccc(F)cc3)cc2)n1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 7/20 0.55
NOS3 P29474 6/20 0.55
CHRM2 P08172 1/20 0.51
CHRM4 P08173 1/20 0.51
HTR2A P28223 4/20 0.43
DRD2 P14416 3/20 0.43
HTR1A P08908 2/20 0.43
PRCP P42785 1/20 0.42
KMT2A Q03164 1/20 0.39
SIGMAR1 Q99720 3/20 0.38
CCR3 P51677 2/20 0.38
DRD4 P21917 2/20 0.37
HTR2C P28335 1/20 0.37
HTR7 P34969 1/20 0.37
DRD3 P35462 1/20 0.37
AVPR1B P47901 1/20 0.36

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
SCHEMBL6618321 0.87 NOS1 (0.55) NOS1NOS3CHRM2CHRM4HTR2A
SCHEMBL6621169 0.86 NOS1 (0.59) NOS1NOS3CHRM2CHRM4HTR2A
SCHEMBL27485800 0.84 NOS1 (0.52) NOS1NOS3CHRM2CHRM4HTR2A
SCHEMBL6621121 0.81 NOS1 (0.56) NOS1NOS3CHRM2CHRM4HTR2A
SCHEMBL6622214 0.81 NOS1 (0.57) NOS1NOS3CHRM2CHRM4HTR2A
SCHEMBL6630074 0.80 NOS1 (0.48) NOS1NOS3CHRM2CHRM4SIGMAR1
SCHEMBL6620172 0.80 NOS1 (0.55) NOS1NOS3CHRM2CHRM4HTR2A
SCHEMBL6620875 0.79 NOS1 (0.63) NOS1NOS3CHRM2CHRM4HTR2A
SCHEMBL6620491 0.79 NOS1 (0.85) NOS1NOS3CHRM2CHRM4HTR2A
SCHEMBL8451422 0.79 SIGMAR1 (0.55) NOS1NOS3CHRM2CHRM4DRD2

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.