SCHEMBL941245

SCHEMBL941245

CN1CCN(c2ccc(N)c(C(=O)O)c2)CC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.74
KDM4E B2RXH2 5/20 0.59
MAPT P10636 4/20 0.59
GAA P10253 2/20 0.59
PTK2B Q14289 2/20 0.59
RECQL P46063 2/20 0.59
MAPK1 P28482 1/20 0.59
HTT P42858 1/20 0.59
HTR6 P50406 2/20 0.52
SIRT6 Q8N6T7 2/20 0.51
KMT2A Q03164 3/20 0.50
ADRA2C P18825 2/20 0.50
GFER P55789 2/20 0.50
ALDH1A1 P00352 2/20 0.50
ESR2 Q92731 1/20 0.50
RXFP1 Q9HBX9 1/20 0.47
CHEK1 O14757 1/20 0.47
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL4356067 0.88 KDM4E (0.59) IP6K1KDM4EMAPTGAAPTK2B
SCHEMBL10739901 0.88 MAPT (0.59) IP6K1KDM4EMAPTGAAPTK2B
SCHEMBL1335642 0.88 IP6K1 (0.56) IP6K1KDM4EMAPTGAAPTK2B
Hydrochloric Acid SCHEMBL3503462 0.86 MAPT (0.58) IP6K1KDM4EMAPTGAAPTK2B
SCHEMBL5740013 0.85 IP6K1 (0.55) IP6K1KDM4EMAPTGAAPTK2B
SCHEMBL8976368 0.85 IP6K1 (1.00) IP6K1KDM4EMAPTGAARECQL
SCHEMBL1414341 0.85 IP6K1 (0.70) IP6K1KDM4EMAPTGAARECQL
SCHEMBL8871236 0.84 IP6K1 (0.97) IP6K1KDM4EMAPTGAARECQL
SCHEMBL26088079 0.84 IP6K1 (0.68) IP6K1KDM4EMAPTGAARECQL
SCHEMBL1558664 0.84 MAPT (0.55) IP6K1KDM4EMAPTGAAPTK2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071601-B2 Aminoquinoline derivatives and their use as adenosine A3 ligands SANOFI-AVENTIS (FR) 2011-12-06 US disclosed
US-20110112092-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS SANOFI-AVENTIS (FR) 2011-05-12 US disclosed
CN-101239945-B Aminoquinoline derivatives and their use as adenosine a3 ligands SANOFI AVENTIS 2011-04-13 CN disclosed
US-20110009626-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS SANOFI-AVENTIS (FR) 2011-01-13 US disclosed
US-7799922-B2 Aminoquinoline derivatives and their use as adenosine A3 ligands SANOFI-AVENTIS (FR) 2010-09-21 US disclosed
US-20090247745-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS SANOFI-AVENTIS (FR) 2009-10-01 US disclosed
US-7547696-B2 Such as 4-methoxy-N-[6-(morpholin-4-yl)-4-benzylamino-3-cyanoquinolin-2-yl]-benzamide; improved solubility SANOFI-AVENTIS (FR) 2009-06-16 US disclosed
CN-101239945-A Aminoquinoline derivatives and their use as adenosine a3 ligands SANOFI AVENTIS (FR) 2008-08-13 CN disclosed
CN-100402501-C Aminoquinoline derivatives and their use as adenosine A3Use of ligands SANOFI AVENTIS (FR) 2008-07-16 CN disclosed
EP-1663982-B1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS SANOFI AVENTIS (FR) 2007-11-21 EP disclosed
US-20060211689-A1 Aminoquinoline derivatives and their use as adenosine A3 ligands SANOFI-AVENTIS U.S. LLC (US) 2006-09-21 US disclosed
CN-1829695-A Aminoquinoline derivatives and their use as adenosine A3Use of ligands SANOFI AVENTIS (FR) 2006-09-06 CN disclosed
EP-1663982-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS Sanofi-Aventis (FR) 2006-06-07 EP disclosed
WO-2005009969-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS SANOFI-AVENTIS (FR) 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 (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-20060211689-A1 Aminoquinoline derivatives and their use as adenosine A3 ligands ADORA3, ADORA2A, ADORA1 IP6K1 1203/4885KDM4E 3817/4885MAPT 1043/4885
US-20090247745-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA1 IP6K1 1203/4885KDM4E 3817/4885MAPT 1043/4885
US-20110112092-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA2B IP6K1 1518/4885KDM4E 4274/4885MAPT 4773/4885
US-20110009626-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA2B IP6K1 782/4885KDM4E 3522/4885MAPT 4709/4885

“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.