SCHEMBL321366

SCHEMBL321366

OCc1cc(OCc2ccccc2)ccc1C1(O)CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.43
MAOB P27338 5/20 0.43
MAOA P21397 4/20 0.43
PDK2 Q15119 1/20 0.42
ALOX5 P09917 1/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
PTGS1 P23219 1/20 0.40
SLC6A2 P23975 1/20 0.40
CYP2C19 P33261 1/20 0.40
PTGS2 P35354 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HIF1A Q16665 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
MMP3 P08254 1/20 0.39
MMP10 P09238 1/20 0.39

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
SCHEMBL8395673 0.78 ALOX5 (0.54) MAOBMAOAALOX5CYP1A2
SCHEMBL1513365 0.75 SIGMAR1 (0.61) SIGMAR1SLC6A2SLC6A3
SCHEMBL8761070 0.74 ALOX5 (0.58) MAOBMAOAALOX5CYP4F2CYP4A11
SCHEMBL320690 0.73 S1PR5 (0.49) LMNAHRH3
SCHEMBL8588173 0.71 LMNA (0.58) MAOBMAOAALOX5CYP4F2CYP4A11
SCHEMBL15144613 0.71 S1PR5 (0.62) MAOBMAOASIGMAR1
Ethane SCHEMBL11640556 0.71 MAOB (0.46) MAOBALOX5CYP4F2CYP4A11
SCHEMBL11198969 0.70 SIGMAR1 (0.50) SIGMAR1CYP2C19HIF1A
SCHEMBL16319058 0.70 ALOX5 (0.53) MAOBMAOAALOX5CYP4F2CYP4A11
SCHEMBL2212877 0.70 ALOX5 (0.53) MAOBMAOAALOX5CYP4F2CYP4A11

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 30 patents — showing the first 20. 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-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-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-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-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-10179791-B2 Spiro-cyclic amine derivatives as S1P modulators ABBVIE B.V. (NL) 2019-01-15 US disclosed
EP-2590955-B1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS ABBVIE BV (NL) 2016-10-12 EP disclosed
EP-2590955-B1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS ABBVIE BV (NL) 2016-10-12 EP disclosed
CN-103097364-B Spiro-piperidine derivatives as S1P modulators ABBOTT HEALTHCARE PRODUCTS B.V. (NL) 2015-11-25 CN disclosed
US-20130196998-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2013-08-01 US disclosed
US-20130196998-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2013-08-01 US 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
CN-103097364-A Spiro-piperidine derivatives as S1P modulators ABBOTT HEALTHCARE PRODUCTS BV 2013-05-08 CN disclosed
WO-2012004378-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS ABBOTT HEALTHCARE PRODUCTS B.V. (NL) 2012-01-12 WO 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 (6 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 KDM1A 3503/4885MAOB 1474/4885MAOA 2316/4885
US-20130196998-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 KDM1A 2505/4885MAOB 2174/4885MAOA 2876/4885
US-20190218227-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 KDM1A 3235/4885MAOB 1553/4885MAOA 2342/4885
US-10807991-B2 Spiro-cyclic amine derivatives as S1P modulators S1PR1, S1PR3, S1PR2 KDM1A 3503/4885MAOB 1474/4885MAOA 2316/4885
US-10179791-B2 Spiro-cyclic amine derivatives as S1P modulators S1PR3, S1PR1, S1PR2 KDM1A 2505/4885MAOB 2174/4885MAOA 2876/4885
US-20210130364-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 KDM1A 3503/4885MAOB 1474/4885MAOA 2316/4885

“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.