SCHEMBL320283

SCHEMBL320283

CCCC/N=C/c1c(CC)cccc1CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
MAPT P10636 4/20 0.44
KDM4E B2RXH2 3/20 0.44
GAA P10253 2/20 0.44
CNR2 P34972 1/20 0.44
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GABRA1 P14867 4/20 0.38
GABRB2 P47870 4/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
HSD17B10 Q99714 1/20 0.37
ENPP2 Q13822 1/20 0.36
LMNA P02545 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35
RAB9A P51151 1/20 0.35
HTR1A P08908 1/20 0.35

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
SCHEMBL320284 1.00 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EGAACNR2
SCHEMBL2103645 0.89 ALDH1A1 (0.40) ALDH1A1MAPTKDM4EGAACNR2
SCHEMBL954101 0.89 ALDH1A1 (0.40) ALDH1A1MAPTKDM4EGAACNR2
SCHEMBL320663 0.78 L3MBTL1 (0.47) ALDH1A1MAPTKDM4EGAACNR2
SCHEMBL320662 0.78 L3MBTL1 (0.47) ALDH1A1MAPTKDM4EGAACNR2
SCHEMBL11745960 0.76 GABRA1 (0.46) ALDH1A1KDM4EGAACYP1A2GABRA1
SCHEMBL21519532 0.75 KDM4E (0.43) ALDH1A1MAPTKDM4EGAACNR2
SCHEMBL14383569 0.73 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EGAACNR2
SCHEMBL953522 0.73 CNR2 (0.46) ALDH1A1MAPTKDM4EGAACNR2
SCHEMBL4610942 0.72 CNR2 (0.36) ALDH1A1CNR2CYP2C9LMNANPC1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12006294-B2 Therapeutic compounds REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2024-06-11 US disclosed
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-20190330157-A1 THERAPEUTIC COMPOUNDS REGENTS OF THE UNIVERSITY OF MINNESOTA 2019-10-31 US disclosed
US-20190330157-A1 THERAPEUTIC COMPOUNDS REGENTS OF THE UNIVERSITY OF MINNESOTA 2019-10-31 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
CN-102548976-B (thio) morpholine derivatives as S1P modulators ABBVIE BAHAMAS LTD. (BS) 2015-09-09 CN disclosed
US-20150239857-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE BAHAMAS LIMITED (BS) 2015-08-27 US disclosed
US-9045441-B2 (Thio)morpholine derivatives as S1P modulators ABBVIE BAHAMAS LIMITED (BS) 2015-06-02 US disclosed
EP-2473490-B1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE BAHAMAS LTD (BS) 2014-02-26 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
US-20120220552-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE BAHAMAS LIMITED (BS) 2012-08-30 US disclosed
EP-2473490-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS Abbott Healthcare Products B.V. (NL) 2012-07-11 EP disclosed
WO-2012004378-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS ABBOTT HEALTHCARE PRODUCTS B.V. (NL) 2012-01-12 WO disclosed
WO-2011023795-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBOTT HEALTHCARE PRODUCTS B.V. (NL) 2011-03-03 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 (10 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 ALDH1A1 2196/4885MAPT 3158/4885KDM4E 3676/4885
US-20130196998-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 ALDH1A1 3430/4885MAPT 4751/4885KDM4E 1634/4885
US-20190218227-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 ALDH1A1 1995/4885MAPT 3173/4885KDM4E 3654/4885
US-20190330157-A1 THERAPEUTIC COMPOUNDS OPRL1, INA, OGFR ALDH1A1 1048/4885MAPT 3826/4885KDM4E 2078/4885
US-20150239857-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 ALDH1A1 3506/4885MAPT 3767/4885KDM4E 716/4885
US-20120220552-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 ALDH1A1 3626/4885MAPT 4129/4885KDM4E 759/4885
US-10807991-B2 Spiro-cyclic amine derivatives as S1P modulators S1PR1, S1PR3, S1PR2 ALDH1A1 2196/4885MAPT 3158/4885KDM4E 3676/4885
US-12006294-B2 Therapeutic compounds OPRL1, INA, OGFR ALDH1A1 1048/4885MAPT 3826/4885KDM4E 2078/4885
US-10179791-B2 Spiro-cyclic amine derivatives as S1P modulators S1PR3, S1PR1, S1PR2 ALDH1A1 3430/4885MAPT 4751/4885KDM4E 1634/4885
US-20210130364-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 ALDH1A1 2196/4885MAPT 3158/4885KDM4E 3676/4885

“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.