SCHEMBL6621169

SCHEMBL6621169

Nc1cccc(-c2ccc(CCN3CCC(NC(=O)Cc4ccc(F)cc4)CC3)cc2)n1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 7/20 0.59
NOS3 P29474 6/20 0.59
SIGMAR1 Q99720 9/20 0.57
CHRM2 P08172 1/20 0.55
CHRM4 P08173 1/20 0.55
CCR3 P51677 2/20 0.48
PRKAA2 P54646 1/20 0.47
CCR5 P51681 1/20 0.47
HTR1A P08908 1/20 0.46
DRD2 P14416 1/20 0.46
HTR2A P28223 1/20 0.46

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 0.95 NOS1 (0.55) NOS1NOS3SIGMAR1CHRM2CHRM4
SCHEMBL6620343 0.88 NOS1 (0.65) NOS1NOS3SIGMAR1CHRM2CHRM4
SCHEMBL8451422 0.87 SIGMAR1 (0.55) NOS1NOS3SIGMAR1CHRM2CHRM4
SCHEMBL6618371 0.86 NOS1 (0.59) NOS1NOS3SIGMAR1CHRM2CHRM4
SCHEMBL6618903 0.86 NOS1 (0.55) NOS1NOS3SIGMAR1CHRM2CHRM4
SCHEMBL6630074 0.85 NOS1 (0.48) NOS1NOS3SIGMAR1CHRM2CHRM4
SCHEMBL6618841 0.84 NOS1 (0.54) NOS1NOS3SIGMAR1CHRM2CHRM4
SCHEMBL27485800 0.83 NOS1 (0.52) NOS1NOS3SIGMAR1CHRM2CHRM4
SCHEMBL6622262 0.82 NOS1 (0.81) NOS1NOS3CHRM2CHRM4HTR1A
SCHEMBL6620491 0.82 NOS1 (0.85) NOS1NOS3SIGMAR1CHRM2CHRM4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1168719-C 6-phenylpyridin-2-ylamine derivatives, pharmaceutical compositions and uses ������ҩ�����޹�˾ 2004-09-29 CN 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
CN-1215391-A 6-phenylpyridyl-2-amine derivatives PFIZER (US) 1999-04-28 CN disclosed
EP-0891332-A1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES PFIZER INC. (US) 1999-01-20 EP disclosed
WO-1997036871-A1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES PFIZER INC. (US) 1997-10-09 WO 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 2/4885SIGMAR1 696/4885

“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.