SCHEMBL3214435

SCHEMBL3214435

CN1CCN(c2ccc([N+](=O)[O-])c(C=O)c2)CC1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 7/20 0.66
MAPT P10636 3/20 0.66
ALDH1A1 P00352 2/20 0.61
MAPK1 P28482 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
HTR6 P50406 8/20 0.56

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
SCHEMBL3982701 0.89 SIRT6 (0.63) SIRT6MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL22634808 0.87 SIRT6 (0.64) SIRT6MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL9693408 0.87 MAPT (0.65) MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL9694345 0.86 MAPT (0.56) SIRT6MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL44794 0.85 HPGD (0.64) MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL2204030 0.85 MAPT (0.49) SIRT6MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL27997682 0.83 SIRT6 (0.75) SIRT6MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL30532598 0.83 SIRT6 (0.75) SIRT6MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL11200094 0.83 MAPT (0.66) SIRT6MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL3215794 0.83 MAPT (0.66) MAPTALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140221371-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS AbbVie Deutschland GmbH & Co. KG (DE) 2014-08-07 US disclosed
US-8207179-B2 Substituted indolines as tyrosine kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-26 US disclosed
CN-101111483-B IGF-1R inhibitors KYOWA HAKKO KIRIN CO.,LTD. (JP) 2011-12-14 CN disclosed
US-20100222331-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 US disclosed
EP-2181108-A2 3-HETROCYCLYLIDENE-INDOLINONE DERIVATIVES AS INHIBITORS OF SPECIFIC CELL CYCLE KINASES Boehringer Ingelheim International GmbH (DE) 2010-05-05 EP disclosed
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-02-18 US disclosed
US-7605272-B2 IGF-1R inhibitor KYOWA HAKKO KIRIN CO., LTD. (JP) 2009-10-20 US disclosed
US-20090054508-A1 IGF-1R INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 US disclosed
WO-2008152014-A2 3-HETROCYCLYLIDENE-INDOLINONE DERIVATIVES AS INHIBITORS OF SPECIFIC CELL CYCLE KINASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-18 WO disclosed
EP-1917245-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS Abbott GmbH & Co. KG (DE) 2008-05-07 EP disclosed
CN-101111483-A IGF-1R inhibitors KYOWA HAKKO KOGYO KK (JP) 2008-01-23 CN disclosed
EP-1847532-A1 IGF-1R INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-10-24 EP disclosed
WO-2007022946-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBOTT GMBH & CO. KG (DE) 2007-03-01 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 (4 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-20140221371-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C SIRT6 3114/4885MAPT 73/4885ALDH1A1 1897/4885
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C SIRT6 3114/4885MAPT 73/4885ALDH1A1 1897/4885
US-20100222331-A1 NEW COMPOUNDS CCNA1, CCNY, MKI67 SIRT6 2440/4885MAPT 4348/4885ALDH1A1 450/4885
US-20090054508-A1 IGF-1R INHIBITOR IGF1R, IGFBP5, IGFBP1 SIRT6 1329/4885MAPT 4175/4885ALDH1A1 1250/4885

“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.