Sugi Predict

Sugi Predict / Compounds / SCHEMBL320052

SCHEMBL320052

SCHEMBL320052

COc1ccc(Br)c(OCC2=CCN(Cc3ccccc3)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 6/20 0.48
▸ DRD2 P14416 5/20 0.48
▸ SIGMAR1 Q99720 5/20 0.45
▸ SLC6A4 P31645 1/20 0.45
▸ REV1 Q9UBZ9 1/20 0.45
▸ TSHR P16473 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ACHE P22303 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ ADRA1D P25100 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ ADRA1B P35368 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ HTR2B P41595 1/20 0.41

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
SCHEMBL325593 0.93 HTR1A (0.49) HTR1ADRD2SIGMAR1SLC6A4REV1
SCHEMBL10266081 0.87 HTR1A (0.48) HTR1ADRD2SIGMAR1SLC6A4REV1
SCHEMBL10268787 0.87 LMNA (0.42) HTR1ADRD2SLC6A4TSHRMEN1
SCHEMBL10265357 0.85 HTR1A (0.48) HTR1ADRD2SIGMAR1SLC6A4REV1
SCHEMBL2801222 0.85 CCNT1 (0.42) TSHRMEN1KMT2AACHELMNA
SCHEMBL1588617 0.84 ALDH1A1 (0.42) HTR1ADRD2SIGMAR1TSHRLMNA
SCHEMBL21061073 0.83 MEN1 (0.44) TSHRMEN1KMT2ALMNAHTT
SCHEMBL30743112 0.80 DHFR (0.38) HTR1ADRD2SLC6A4REV1TSHR
SCHEMBL31738781 0.80 MEN1 (0.46) DRD2SIGMAR1MEN1KMT2ALMNA
SCHEMBL13845126 0.79 OPRM1 (0.44) DRD2SIGMAR1MEN1KMT2ALMNA

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 27 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
US-20160340363-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS AbbVie Deutschland GmbH & Co. KG (DE) 2016-11-24 — — US disclosed
US-20160340363-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS AbbVie Deutschland GmbH & Co. KG (DE) 2016-11-24 — — US 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
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
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
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 HTR1A 243/4885DRD2 505/4885SIGMAR1 151/4885
US-20130196998-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 HTR1A 150/4885DRD2 755/4885SIGMAR1 152/4885
US-20190218227-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 HTR1A 201/4885DRD2 518/4885SIGMAR1 140/4885
US-10807991-B2 Spiro-cyclic amine derivatives as S1P modulators S1PR1, S1PR3, S1PR2 HTR1A 243/4885DRD2 505/4885SIGMAR1 151/4885
US-20160340363-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 HTR1A 201/4885DRD2 518/4885SIGMAR1 140/4885
US-10179791-B2 Spiro-cyclic amine derivatives as S1P modulators S1PR3, S1PR1, S1PR2 HTR1A 150/4885DRD2 755/4885SIGMAR1 152/4885
US-20210130364-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 HTR1A 243/4885DRD2 505/4885SIGMAR1 151/4885

“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.