Sugi Predict

Sugi Predict / Compounds / SCHEMBL327558

SCHEMBL327558

SCHEMBL327558

CC(C)(C)OC(=O)N1CCC2(CCc3cc(O)ccc32)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.60
▸ NR1H2 P55055 1/20 0.44
▸ GPR119 Q8TDV5 7/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ USP30 Q70CQ3 1/20 0.41
▸ PDK1 Q15118 1/20 0.41
▸ PDK2 Q15119 1/20 0.41
▸ PDK3 Q15120 1/20 0.41
▸ PDK4 Q16654 1/20 0.41
▸ ALOX15 P16050 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ TACR1 P25103 1/20 0.40
▸ KDM1A O60341 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HDAC1 Q13547 2/20 0.40
▸ HDAC8 Q9BY41 2/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.40
▸ OPRM1 P35372 1/20 0.40

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
SCHEMBL2188367 0.89 MEN1 (0.47) ESR2NR1H2GPR119NPC1RAB9A
SCHEMBL31758626 0.89 MEN1 (0.47) ESR2NR1H2GPR119NPC1RAB9A
SCHEMBL25322292 0.87 ESR2 (0.44) ESR2NR1H2GPR119NPC1RAB9A
SCHEMBL327514 0.87 STS (0.48) ESR2NR1H2GPR119MEN1KMT2A
SCHEMBL29475527 0.87 ESR2 (0.44) ESR2NR1H2GPR119NPC1RAB9A
SCHEMBL30695726 0.87 NR1H2 (0.61) ESR2NR1H2GPR119NPC1RAB9A
SCHEMBL30468415 0.85 ESR2 (0.67) ESR2NR1H2NPC1RAB9AUSP30
SCHEMBL2109651 0.84 RBP4 (0.51) USP30ALOX15TSHRKDM1AHDAC1
SCHEMBL4917653 0.83 MEN1 (0.48) ESR2NR1H2GPR119NPC1RAB9A
SCHEMBL2500184 0.82 HSD11B1 (0.47) ESR2NR1H2GPR119USP30MEN1

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 26 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-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-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
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
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 ESR2 907/4885NR1H2 32/4885GPR119 70/4885
US-20130196998-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 ESR2 815/4885NR1H2 62/4885GPR119 502/4885
US-20190218227-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 ESR2 869/4885NR1H2 32/4885GPR119 71/4885
US-10807991-B2 Spiro-cyclic amine derivatives as S1P modulators S1PR1, S1PR3, S1PR2 ESR2 907/4885NR1H2 32/4885GPR119 70/4885
US-20160340363-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 ESR2 869/4885NR1H2 32/4885GPR119 71/4885
US-10179791-B2 Spiro-cyclic amine derivatives as S1P modulators S1PR3, S1PR1, S1PR2 ESR2 815/4885NR1H2 62/4885GPR119 502/4885
US-20210130364-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 ESR2 907/4885NR1H2 32/4885GPR119 70/4885

“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.