SCHEMBL4473786

SCHEMBL4473786

O=[N+]([O-])c1cccc(-c2ccc(C34C=CCN(CC3)C4)cn2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
IDO1 P14902 1/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
NPY5R Q15761 1/20 0.37
MAPT P10636 6/20 0.37
KMT2A Q03164 1/20 0.37
MET P08581 1/20 0.37
KEAP1 Q14145 2/20 0.36
NFE2L2 Q16236 2/20 0.36
PLK1 P53350 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 4/20 0.36
THRB P10828 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 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
SCHEMBL4465250 0.82 KDM1A (0.40) IDO1BCHEACHENPY5RKMT2A
SCHEMBL4470038 0.82 HPGDS (0.39) IDO1NPY5RMAPTLMNAALDH1A1
SCHEMBL4463819 0.81 HSD11B1 (0.38) NPY5R
SCHEMBL4460475 0.81 FYN (0.41) NPY5R
SCHEMBL5220505 0.81 RAB9A (0.42) RAB9ANPC1IDO1BCHEACHE
SCHEMBL4483243 0.80 CYP2A6 (0.41) ACHEALDH1A1
SCHEMBL4460157 0.80 KDM1A (0.43) RAB9ANPC1IDO1NPY5RMAPT
Bromide SCHEMBL4472025 0.80 RAB9A (0.41) RAB9ANPC1IDO1BCHEACHE
SCHEMBL4461401 0.76 ALOX5AP (0.31)
SCHEMBL4463770 0.76 ALOX5AP (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7585974-B2 Derivatives of 5-(pyridin-3-yl)-1-azabicyclo[3.2.1]octane, their preparation and their therapeutic application SANOFI-AVENTIS (FR) 2009-09-08 US claimed
US-20070185137-A1 Derivatives of 5-(pyridin-3-yl)-1-azabicyclo[3.2.1]octane, their preparation and their therapeutic application SANOFI-AVENTIS (FR) 2007-08-09 US claimed
EP-1465893-B1 DERIVATIVES OF 5-(PYRIDIN-3-YL)-1-AZABICYCLO (3.2.1) OCTANE, THE PREPARATION THEREOF AND THE APPLICATION OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2007-02-28 EP claimed

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-20070185137-A1 Derivatives of 5-(pyridin-3-yl)-1-azabicyclo[3.2.1]octane, their preparation and their therapeutic application PAICS, CYC1, AADAC RAB9A 4042/4885NPC1 577/4885IDO1 44/4885

“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.