SCHEMBL1187758

SCHEMBL1187758

NCCC1(NCc2ccccc2)CCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.39
CYP3A4 P08684 2/20 0.38
MAPT P10636 2/20 0.38
NPFFR1 Q9GZQ6 1/20 0.38
NPFFR2 Q9Y5X5 1/20 0.38
LOXL2 Q9Y4K0 2/20 0.36
CYP2A6 P11509 1/20 0.36
HTR2A P28223 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
GRIN2D O15399 2/20 0.36
GRIN3B O60391 2/20 0.36
GRIA1 P42261 2/20 0.36
GRIA2 P42262 2/20 0.36
GRIA3 P42263 2/20 0.36
GRIA4 P48058 2/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2A Q12879 2/20 0.36

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
SCHEMBL1186483 0.83 IDO1 (0.39) IDO1MAPTNPFFR1NPFFR2P2RX7
SCHEMBL9954933 0.82 DPP4 (0.44) IDO1CYP3A4MAPTNPFFR1NPFFR2
SCHEMBL14690574 0.81 IDO1 (0.38) IDO1CYP3A4MAPTLOXL2CYP2A6
SCHEMBL15824244 0.81 DPP4 (0.43) IDO1CYP3A4MAPTNPFFR1NPFFR2
SCHEMBL13163124 0.79 CD274 (0.44) IDO1CYP3A4MAPTNPFFR1NPFFR2
SCHEMBL19437471 0.78 P2RX7 (0.42) IDO1NPFFR1NPFFR2SMN1; SMN2P2RX7
SCHEMBL23740296 0.74 P2RX7 (0.41) CYP3A4MAPTP2RX7KMT2ATSHR
SCHEMBL5172588 0.74 CD274 (0.46) IDO1CYP3A4MAPTP2RX7THRB
SCHEMBL20198672 0.74 P2RX7 (0.41) CYP3A4MAPTP2RX7KMT2ATSHR
SCHEMBL17829153 0.73 NPFFR1 (0.35) IDO1CYP3A4MAPTNPFFR1NPFFR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2203459-B1 SPIROCYCLIC AMINOQUINOLONES AS GSK-3 INHIBITORS KYORIN SEIYAKU KK (JP) 2016-03-16 EP disclosed
EP-2203459-B1 SPIROCYCLIC AMINOQUINOLONES AS GSK-3 INHIBITORS KYORIN SEIYAKU KK (JP) 2016-03-16 EP disclosed
US-8901112-B2 Spirocyclic aminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2014-12-02 US disclosed
US-8901112-B2 Spirocyclic aminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2014-12-02 US disclosed
US-8901112-B2 Spirocyclic aminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2014-12-02 US disclosed
US-20140005184-A1 SPIROCYCLIC AMINOQUINOLONES AS GSK-3 INHIBITORS KYORIN PHARMACEUTICALS CO., LTD. (JP) 2014-01-02 US disclosed
US-8476261-B2 Spirocyclic aminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 US disclosed
US-8476261-B2 Spirocyclic aminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 US disclosed
US-8476261-B2 Spirocyclic aminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 US disclosed
US-20110034436-A1 SPIROCYCLIC AMINOQUINOLNES AS GSK-3 INHIBITORS KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-02-10 US disclosed
US-20110034436-A1 SPIROCYCLIC AMINOQUINOLNES AS GSK-3 INHIBITORS KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-02-10 US disclosed
US-20110034436-A1 SPIROCYCLIC AMINOQUINOLNES AS GSK-3 INHIBITORS KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-02-10 US disclosed
EP-2203459-A1 SPIROCYCLIC AMINOQUINOLONES AS GSK-3 INHIBITORS Activx Biosciences, Inc. (US) 2010-07-07 EP disclosed
WO-2009035684-A1 SPIROCYCLIC AMINOQUINOLONES AS GSK-3 INHIBITORS ACTIVX BIOSCIENCES, INC. (US) 2009-03-19 WO disclosed
WO-2009035684-A1 SPIROCYCLIC AMINOQUINOLONES AS GSK-3 INHIBITORS ACTIVX BIOSCIENCES, INC. (US) 2009-03-19 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-20140005184-A1 SPIROCYCLIC AMINOQUINOLONES AS GSK-3 INHIBITORS GSK3A, GSK3B, GSKIP IDO1 1994/4885CYP3A4 1755/4885MAPT 1187/4885
US-20110034436-A1 SPIROCYCLIC AMINOQUINOLNES AS GSK-3 INHIBITORS GSK3A, GSK3B, GSKIP IDO1 2639/4885CYP3A4 2859/4885MAPT 2909/4885

“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.