SCHEMBL2884332

SCHEMBL2884332

CN1CCC2C1CCN2c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.50
LMNA P02545 1/20 0.46
MAPT P10636 4/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
ADRB1 P08588 1/20 0.43
ACHE P22303 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CHRNB4 P30926 4/20 0.41
CHRNA3 P32297 4/20 0.41

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
SCHEMBL6493247 0.82 MAPT (0.56) SIRT6LMNAMAPTMEN1KMT2A
SCHEMBL3063033 0.74 SIRT6 (0.59) SIRT6LMNAMAPTMEN1KMT2A
SCHEMBL2884326 0.74 SIRT6 (0.48) SIRT6LMNAMAPTMEN1KMT2A
SCHEMBL29581173 0.73 MEN1 (0.48) SIRT6LMNAMAPTMEN1KMT2A
SCHEMBL5266222 0.73 HRH3 (0.45) ALDH1A1POLBHSD17B10
SCHEMBL6719932 0.72 HRH3 (0.56) SIRT6LMNAMAPTMEN1KMT2A
SCHEMBL2537629 0.72 POLB (0.49) SIRT6MAPTMEN1KMT2AALDH1A1
SCHEMBL8448356 0.72 HRH3 (0.56) SIRT6LMNAMAPTMEN1KMT2A
SCHEMBL15828757 0.72 MAPT (0.49) SIRT6LMNAMAPTMEN1KMT2A
SCHEMBL5264181 0.71 SIRT6 (0.46) SIRT6LMNAMAPTMEN1KMT2A

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
US-8586609-B2 Aryl-substituted polycyclic amines, method for the production thereof, and use thereof as a medicament SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2013-11-19 US disclosed
US-20100298378-A1 ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-11-25 US disclosed
US-7838547-B2 Aryl-substituted polycyclic amines, method for the production thereof, and use thereof as a medicament SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-11-23 US disclosed
CN-101006091-B Aryl-substituted polycyclic amines, method for the production thereof, and use thereof as a medicament SANOFI AVENTIS DEUTSCHLAND 2010-09-15 CN disclosed
US-20070299077-A1 ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-12-27 US disclosed
CN-101006091-A Aryl-substituted polycyclic amines, method for the production thereof, and use thereof as a medicament SANOFI AVENTIS DEUTSCHLAND (DE) 2007-07-25 CN disclosed
EP-1781663-A2 ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT Sanofi-Aventis Deutschland GmbH (DE) 2007-05-09 EP disclosed
WO-2006018280-A2 ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-02-23 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 (2 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-20070299077-A1 ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT PAH, NAT1, AADAT SIRT6 1637/4885LMNA 1708/4885MAPT 2703/4885
US-20100298378-A1 ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT PAH, NAT1, AADAT SIRT6 1637/4885LMNA 1708/4885MAPT 2703/4885

“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.