SCHEMBL6618441

SCHEMBL6618441

O=C(Cc1ccc(I)cc1)N1CCN(CCc2ccccc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.61
NOS1 P29475 1/20 0.61
SIGMAR1 Q99720 7/20 0.61
KCNH2 Q12809 2/20 0.61
KCNJ1 P48048 1/20 0.61
HSD11B1 P28845 1/20 0.59
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
LMNA P02545 2/20 0.56
ALDH1A1 P00352 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HPGD P15428 1/20 0.56
HTT P42858 1/20 0.56
TSHR P16473 1/20 0.54
KDM4E B2RXH2 1/20 0.54

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
SCHEMBL10339998 0.88 ME2 (0.64) NOS3NOS1SIGMAR1KCNH2KCNJ1
SCHEMBL25041411 0.86 ALDH1A1 (0.75) SIGMAR1HSD11B1MEN1KMT2ALMNA
SCHEMBL6619237 0.84 SLC6A3 (0.66) SIGMAR1KCNH2MEN1KMT2A
SCHEMBL4173376 0.84 NOS3 (0.61) NOS3NOS1SIGMAR1KCNH2KCNJ1
SCHEMBL10975702 0.80 TSHR (0.71) SIGMAR1HSD11B1MEN1KMT2ALMNA
SCHEMBL10900913 0.79 MEN1 (0.62) SIGMAR1KCNH2MEN1KMT2A
SCHEMBL4183633 0.79 KDM4E (0.70) NOS3NOS1SIGMAR1KCNH2HSD11B1
SCHEMBL10722408 0.79 HSD11B1 (0.77) HSD11B1MEN1KMT2ALMNAALDH1A1
SCHEMBL3967794 0.79 HSD11B1 (0.77) HSD11B1MEN1KMT2ALMNAALDH1A1
Hydrochloric Acid SCHEMBL10901273 0.79 ALDH1A1 (0.60) NOS3NOS1SIGMAR1KCNH2KCNJ1

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 6 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
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 NOS3 2/4885NOS1 3/4885SIGMAR1 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.