Sugi Predict

Sugi Predict / Compounds / SCHEMBL320716

SCHEMBL320716

SCHEMBL320716

Brc1ccc(OCc2ccccc2)cc1OCc1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.54
▸ HTR1A P08908 2/20 0.52
▸ DRD2 P14416 2/20 0.52
▸ IKBKB O14920 1/20 0.52
▸ LMNA P02545 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.47
▸ CYP19A1 P11511 1/20 0.47
▸ CYP11B1 P15538 1/20 0.47
▸ CYP11B2 P19099 1/20 0.47
▸ MAOB P27338 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ LRRK2 Q5S007 1/20 0.46
▸ GRM2 Q14416 1/20 0.46
▸ RAB9A P51151 1/20 0.45
▸ ALOX5 P09917 1/20 0.45

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
SCHEMBL30628889 0.87 MAOB (0.59) LMNACYP3A4MAOBRAB9AALOX5
SCHEMBL615020 0.87 MAOB (0.59) LMNACYP3A4MAOBRAB9AALOX5
SCHEMBL18537099 0.84 MAPK1 (0.54) MAPK1HTR1ADRD2IKBKBLMNA
SCHEMBL18133332 0.84 MAPK1 (0.54) MAPK1HTR1ADRD2IKBKBLMNA
SCHEMBL29468740 0.78 HSD17B10 (0.49) MAPK1HTR1ADRD2IKBKBHSD17B10
SCHEMBL7311175 0.77 MAPK1 (0.65) MAPK1HTR1ADRD2IKBKBMEN1
SCHEMBL28048524 0.77 MAPK1 (0.64) MAPK1HTR1ADRD2IKBKBALDH1A1
SCHEMBL6119729 0.77 MAOB (0.58) LMNAALDH1A1MAOBALOX5
SCHEMBL7390468 0.77 MAOB (0.58) HTR1ADRD2ALDH1A1MAOBLRRK2
SCHEMBL31725937 0.77 MAOB (0.58) LMNAALDH1A1MAOBALOX5

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 22 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-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
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-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
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
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
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 (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 MAPK1 1447/4885HTR1A 243/4885DRD2 505/4885
US-20130196998-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 MAPK1 2482/4885HTR1A 150/4885DRD2 755/4885
US-20190218227-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 MAPK1 1242/4885HTR1A 201/4885DRD2 518/4885
US-10807991-B2 Spiro-cyclic amine derivatives as S1P modulators S1PR1, S1PR3, S1PR2 MAPK1 1447/4885HTR1A 243/4885DRD2 505/4885
US-20160340363-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 MAPK1 1242/4885HTR1A 201/4885DRD2 518/4885
US-10179791-B2 Spiro-cyclic amine derivatives as S1P modulators S1PR3, S1PR1, S1PR2 MAPK1 2482/4885HTR1A 150/4885DRD2 755/4885
US-20210130364-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 MAPK1 1447/4885HTR1A 243/4885DRD2 505/4885

“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.