SCHEMBL320339

SCHEMBL320339

CCCCN=Cc1c(F)cccc1C1CC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CNR2 P34972 2/20 0.35
MAP1LC3B Q9GZQ8 1/20 0.35
LMNA P02545 1/20 0.34
ENPP2 Q13822 1/20 0.33
DRD2 P14416 2/20 0.33
DRD3 P35462 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
HCRTR2 O43614 2/20 0.32
SLC10A2 Q12908 1/20 0.32
OPRL1 P41146 1/20 0.31
HTR1A P08908 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL320338 1.00 KDM4E (0.37) KDM4EALDH1A1GAAMAPTL3MBTL1
SCHEMBL320662 0.83 L3MBTL1 (0.47) KDM4EALDH1A1GAAMAPTL3MBTL1
SCHEMBL320663 0.83 L3MBTL1 (0.47) KDM4EALDH1A1GAAMAPTL3MBTL1
SCHEMBL958235 0.77 CYP1A2 (0.46) KDM4EALDH1A1GAAMAPTL3MBTL1
SCHEMBL2103645 0.77 ALDH1A1 (0.40) KDM4EALDH1A1GAAMAPTL3MBTL1
SCHEMBL14564309 0.77 CYP1A2 (0.46) KDM4EALDH1A1GAAMAPTL3MBTL1
SCHEMBL5176000 0.77 CYP1A2 (0.46) KDM4EALDH1A1GAAMAPTL3MBTL1
SCHEMBL953102 0.70 ALDH1A1 (0.39) KDM4EALDH1A1GAAMAPTL3MBTL1
SCHEMBL953803 0.70 ALDH1A1 (0.39) KDM4EALDH1A1GAAMAPTL3MBTL1
SCHEMBL27751806 0.69 RAB9A (0.50) KDM4EALDH1A1GAAMAPTL3MBTL1

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-11427598-B2 Spiro-cyclic amine derivatives as S1P modulators AbbVie Deutschland GmbH & Co. KG (DE) 2022-08-30 US disclosed
US-20210130364-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2021-05-06 US disclosed
US-10807991-B2 Spiro-cyclic amine derivatives as S1P modulators ABBVIE B.V. (NL) 2020-10-20 US disclosed
US-20190218227-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS AbbVie Deutschland GmbH & Co. KG (DE) 2019-07-18 US disclosed
US-10179791-B2 Spiro-cyclic amine derivatives as S1P modulators ABBVIE B.V. (NL) 2019-01-15 US disclosed
US-9951084-B2 Spiro-cyclic amine derivatives as S1P modulators Abb Vie B.V. (NL) 2018-04-24 US disclosed
EP-3144312-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS AbbVie B.V. (NL) 2017-03-22 EP disclosed
EP-2590955-B9 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS ABBVIE BV (NL) 2017-02-22 EP disclosed
US-20160340363-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS AbbVie Deutschland GmbH & Co. KG (DE) 2016-11-24 US disclosed
EP-2590955-B1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS ABBVIE BV (NL) 2016-10-12 EP disclosed
US-20130196998-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2013-08-01 US disclosed
EP-2590955-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2013-05-15 EP disclosed
WO-2012004378-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS ABBOTT HEALTHCARE PRODUCTS B.V. (NL) 2012-01-12 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 (7 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-11427598-B2 Spiro-cyclic amine derivatives as S1P modulators S1PR1, S1PR3, S1PR2 KDM4E 3676/4885ALDH1A1 2196/4885GAA 4725/4885
US-20130196998-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 KDM4E 1634/4885ALDH1A1 3430/4885GAA 4868/4885
US-20190218227-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 KDM4E 3654/4885ALDH1A1 1995/4885GAA 4727/4885
US-10807991-B2 Spiro-cyclic amine derivatives as S1P modulators S1PR1, S1PR3, S1PR2 KDM4E 3676/4885ALDH1A1 2196/4885GAA 4725/4885
US-20160340363-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 KDM4E 3654/4885ALDH1A1 1995/4885GAA 4727/4885
US-10179791-B2 Spiro-cyclic amine derivatives as S1P modulators S1PR3, S1PR1, S1PR2 KDM4E 1634/4885ALDH1A1 3430/4885GAA 4868/4885
US-20210130364-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 KDM4E 3676/4885ALDH1A1 2196/4885GAA 4725/4885

“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.