SCHEMBL4507337

SCHEMBL4507337

CN(C)CCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.60
LMNA P02545 1/20 0.55
HTR7 P34969 3/20 0.54
HTR2A P28223 2/20 0.54
HTR2C P28335 2/20 0.54
MAPT P10636 2/20 0.54
ALDH1A1 P00352 1/20 0.54
HTR1A P08908 2/20 0.54
POLB P06746 2/20 0.52
KMT2A Q03164 1/20 0.52
KCNJ1 P48048 1/20 0.51

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
SCHEMBL12005663 0.92 SIRT6 (0.63) SIRT6LMNAHTR7MAPTALDH1A1
SCHEMBL6945690 0.85 SIRT6 (0.65) SIRT6LMNAHTR7MAPTALDH1A1
SCHEMBL2730000 0.82 KDM4E (0.63) SIRT6LMNAMAPTALDH1A1HTR1A
SCHEMBL5743368 0.82 HTR1A (0.61) SIRT6LMNAMAPTHTR1APOLB
SCHEMBL5187796 0.82 SIRT6 (0.60) SIRT6LMNAMAPTHTR1APOLB
SCHEMBL1045292 0.81 SIRT6 (0.69) SIRT6LMNAHTR7MAPTALDH1A1
SCHEMBL5209234 0.81 MAPT (0.67) SIRT6LMNAMAPTHTR1APOLB
SCHEMBL3187195 0.81 SIRT6 (0.59) SIRT6LMNAMAPTHTR1APOLB
SCHEMBL12431530 0.80 MAPT (0.70) SIRT6LMNAMAPTALDH1A1HTR1A
SCHEMBL19926115 0.80 HTR1A (0.58) SIRT6LMNAMAPTHTR1APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2681221-B1 TRICYCLIC INHIBITORS OF KINASES ABBVIE INC (US) 2016-05-18 EP disclosed
US-8710065-B2 Tricyclic inhibitors of kinases ABBVIE INC. (US) 2014-04-29 US disclosed
EP-2681221-A1 TRICYCLIC INHIBITORS OF KINASES AbbVie Inc. (US) 2014-01-08 EP disclosed
WO-2012161812-A1 TRICYCLIC INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-11-29 WO disclosed
US-20120220572-A1 TRICYCLIC INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-08-30 US disclosed
US-7504396-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-03-17 US disclosed
US-7442698-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2008-10-28 US disclosed
EP-1664053-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2007-01-24 EP disclosed
EP-1682531-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-07-26 EP disclosed
EP-1664053-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2006-06-07 EP disclosed
EP-1654238-A1 2-AMINOPYRIMIDINE AND 2-AMINOPYRIDINE-4-CARBAMATES FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AMGEN INC. (US) 2006-05-10 EP disclosed
EP-1648464-A1 2-AMINO-4-HYDROXY-5-PYRIMIDINCARBOXAMID DERIVATIVES AND RELATED COMPOUNDS AS T-CELL ACTIVATION INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS AMGEN INC. (US) 2006-04-26 EP disclosed
US-20050209221-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-09-22 US disclosed
US-20050107374-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-05-19 US disclosed
WO-2005042518-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2005-05-12 WO disclosed
US-20050070554-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-03-31 US disclosed
WO-2005021551-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2005-03-10 WO disclosed
WO-2005009978-A1 2-AMINOPYRIMIDINE AND 2-AMINOPYRIDINE-4-CARBAMATES FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AMGEN INC. (US) 2005-02-03 WO disclosed
US-20050026914-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-02-03 US disclosed
WO-2005009443-A1 2-AMINO-4-HYDROXY-5-PYRIMIDINECARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF T CELL ACTIVATION FOR THE TREATMENT OF INFLAMMATORY DISEASES AMGEN INC. (US) 2005-02-03 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 (5 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-20050026914-A1 Substituted heterocyclic compounds and methods of use NFATC1, ICOS, BET1 SIRT6 2716/4885LMNA 4524/4885HTR7 1359/4885
US-20050070554-A1 Substituted heterocyclic compounds and methods of use NFATC1, ICOS, PAICS SIRT6 711/4885LMNA 4237/4885HTR7 735/4885
US-20120220572-A1 TRICYCLIC INHIBITORS OF KINASES WEE1, WEE2, CDK1 SIRT6 3016/4885LMNA 3229/4885HTR7 4221/4885
US-20050107374-A1 Substituted heterocyclic compounds and methods of use ICOS, CD4, HLA-DRB1 SIRT6 3760/4885LMNA 4131/4885HTR7 154/4885
US-20050209221-A1 Substituted heterocyclic compounds and methods of use ICOS, CD4, HLA-DRB1 SIRT6 3210/4885LMNA 4129/4885HTR7 160/4885

“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.