SCHEMBL668390

SCHEMBL668390

c1ccc(-c2ccc(C34CCCN(CC3)C4)nn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.36
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 2/20 0.35
TP53 P04637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
KMT2A Q03164 1/20 0.35
RELA Q04206 1/20 0.35
NPY5R Q15761 2/20 0.34
USP2 O75604 1/20 0.33
PKM P14618 1/20 0.33
USP30 Q70CQ3 2/20 0.33

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
SCHEMBL2846380 0.85 IL4I1 (0.38) RAB9ANPC1TP53KDM4EMEN1
SCHEMBL2823342 0.85 HSD11B1 (0.36) RAB9ANPC1TP53
Hydrochloric Acid SCHEMBL2822574 0.84 IL4I1 (0.37) RAB9ANPC1TP53KDM4EMEN1
Hydrochloric Acid SCHEMBL2821800 0.84 HSD11B1 (0.35) RAB9ANPC1TP53
SCHEMBL2818964 0.83 NPC1 (0.41) RAB9ASMN1; SMN2NPC1TP53KDM4E
SCHEMBL2820263 0.83 SLC6A2 (0.31)
Hydrochloric Acid SCHEMBL2823335 0.82 SLC6A2 (0.30)
SCHEMBL2821301 0.82 CHRNA7 (0.35) ALDH1A1
SCHEMBL2819737 0.81 SCD (0.35)
SCHEMBL2819424 0.81 KCNH2 (0.36) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1922320-B1 DERIVATIVES OF 5-PYRIDAZINYL-1-AZABICYCLO[3.2.1]OCTANE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2010-10-27 EP claimed
US-8557819-B2 Derivatives of 5-pyridazinyl-1-azabicyclo[3.2.1]octane, preparation method thereof and use of same in therapeutics SANOFI (FR) 2013-10-15 US disclosed
US-20120046298-A1 DERIVATIVES OF 5-PYRIDAZINYL-1-AZABICYCLO[3.2.1]OCTANE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2012-02-23 US disclosed
US-8076340-B2 Derivatives of 5-pyridazinyl-1-azabicyclo[3.2.1]octane, preparation method thereof and use of same in therapeutics SANOFI-AVENTIS (FR) 2011-12-13 US disclosed
EP-1922320-B1 DERIVATIVES OF 5-PYRIDAZINYL-1-AZABICYCLO[3.2.1]OCTANE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2010-10-27 EP disclosed
US-20090088440-A1 DERIVATIVES OF 5-PYRIDAZINYL-1-AZABICYCLO[3.2.1]OCTANE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2009-04-02 US disclosed
US-7476674-B2 Derivatives of 5-pyridazinyl-1-azabicyclo[3.2.1]octane, preparation method thereof and use of same in therapeutics SANOFI-AVENTIS (FR) 2009-01-13 US disclosed
US-20080176855-A1 DERIVATIVES OF 5-PYRIDAZINYL-1-AZABICYCLO[3.2.1]OCTANE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2008-07-24 US disclosed
EP-1922320-A1 DERIVATIVES OF 5-PYRIDAZINYL-1-AZABICYCLO[3.2.1]OCTANE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2008-05-21 EP disclosed
WO-2007020343-A1 DERIVATIVES OF 5-PYRIDAZINYL-1-AZABICYCLO[3.2.1]OCTANE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2007-02-22 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 (3 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-20090088440-A1 DERIVATIVES OF 5-PYRIDAZINYL-1-AZABICYCLO[3.2.1]OCTANE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS TPMT, DHFR, S1PR5 ACHE 2072/4885RAB9A 2731/4885SMN1; SMN2 1907/4885
US-20080176855-A1 DERIVATIVES OF 5-PYRIDAZINYL-1-AZABICYCLO[3.2.1]OCTANE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS TPMT, DHFR, S1PR5 ACHE 2072/4885RAB9A 2731/4885SMN1; SMN2 1907/4885
US-20120046298-A1 DERIVATIVES OF 5-PYRIDAZINYL-1-AZABICYCLO[3.2.1]OCTANE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS TPMT, DHFR, S1PR5 ACHE 2072/4885RAB9A 2731/4885SMN1; SMN2 1907/4885

“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.