SCHEMBL326519

SCHEMBL326519

COCOc1ccc(Br)c(OCC2=CCN(Cc3ccccc3)CC2)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A3 Q01959 2/20 0.39
REV1 Q9UBZ9 1/20 0.34
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
HTR1A P08908 2/20 0.34
DRD2 P14416 2/20 0.34
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
BACE1 P56817 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
HTR2A P28223 1/20 0.33
HTR6 P50406 1/20 0.33
DRD4 P21917 1/20 0.32

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
SCHEMBL320581 0.80 CCNT1 (0.37) SLC6A4SLC6A2SLC6A3REV1CCNT1
SCHEMBL326153 0.79 S1PR5 (0.36) REV1CCNT1CDK9HTR1ADRD2
SCHEMBL325593 0.76 HTR1A (0.49) SLC6A4SLC6A3REV1HTR1ADRD2
SCHEMBL1588617 0.76 ALDH1A1 (0.42) HTR1ADRD2LMNATSHRHTT
SCHEMBL13845126 0.76 OPRM1 (0.44) DRD2LMNAHTR6DRD4
SCHEMBL2801840 0.76 MEN1 (0.36) SLC6A4SLC6A2SLC6A3CCNT1CDK9
SCHEMBL320052 0.76 HTR1A (0.48) SLC6A4SLC6A3REV1HTR1ADRD2
SCHEMBL25341934 0.75 MEN1 (0.42) DRD2BCHEACHELMNADRD4
SCHEMBL31024657 0.75 MEN1 (0.42) DRD2BCHEACHELMNADRD4
SCHEMBL10268787 0.75 LMNA (0.42) SLC6A4SLC6A2SLC6A3HTR1ADRD2

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 SLC6A4 484/4885SLC6A2 603/4885SLC6A3 684/4885
US-20130196998-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 SLC6A4 480/4885SLC6A2 1181/4885SLC6A3 1130/4885
US-20190218227-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 SLC6A4 508/4885SLC6A2 636/4885SLC6A3 740/4885
US-10807991-B2 Spiro-cyclic amine derivatives as S1P modulators S1PR1, S1PR3, S1PR2 SLC6A4 484/4885SLC6A2 603/4885SLC6A3 684/4885
US-20160340363-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 SLC6A4 508/4885SLC6A2 636/4885SLC6A3 740/4885
US-10179791-B2 Spiro-cyclic amine derivatives as S1P modulators S1PR3, S1PR1, S1PR2 SLC6A4 480/4885SLC6A2 1181/4885SLC6A3 1130/4885
US-20210130364-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 SLC6A4 484/4885SLC6A2 603/4885SLC6A3 684/4885

“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.