Sugi Predict

Sugi Predict / Compounds / SCHEMBL326697

SCHEMBL326697

SCHEMBL326697

Brc1cnc2c(c1)CCC21CCN(Cc2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 20/20 0.55
▸ TP53 P04637 2/20 0.55
▸ CYP1A2 P05177 2/20 0.55
▸ CYP3A4 P08684 2/20 0.55
▸ CYP2D6 P10635 2/20 0.55
▸ TSHR P16473 2/20 0.55
▸ CYP2C19 P33261 2/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ HTR2A P28223 4/20 0.51
▸ HTR2C P28335 4/20 0.51
▸ HTR2B P41595 4/20 0.51
▸ DRD2 P14416 3/20 0.51
▸ NFKB1 P19838 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ MTOR P42345 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ PMP22 Q01453 1/20 0.46
▸ KMT2A Q03164 1/20 0.46

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
SCHEMBL326696 0.80 SIGMAR1 (0.64) SIGMAR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL466954 0.72 SIGMAR1 (1.00) SIGMAR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL6841309 0.68 SIGMAR1 (1.00) SIGMAR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL13855275 0.67 SIGMAR1 (0.67) SIGMAR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL8246067 0.67 SIGMAR1 (0.52) SIGMAR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL6031058 0.66 SIGMAR1 (0.52) SIGMAR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL18149896 0.66 GAA (0.48) SIGMAR1CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL1587585 0.65 SIGMAR1 (0.79) SIGMAR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL3817479 0.65 SIGMAR1 (0.84) SIGMAR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL6777379 0.65 SIGMAR1 (0.60) SIGMAR1TP53CYP1A2CYP3A4CYP2D6

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 19 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-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
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
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
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 SIGMAR1 151/4885TP53 3161/4885CYP1A2 2219/4885
US-20130196998-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 SIGMAR1 152/4885TP53 4133/4885CYP1A2 2164/4885
US-20190218227-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 SIGMAR1 140/4885TP53 3226/4885CYP1A2 2125/4885
US-10807991-B2 Spiro-cyclic amine derivatives as S1P modulators S1PR1, S1PR3, S1PR2 SIGMAR1 151/4885TP53 3161/4885CYP1A2 2219/4885
US-20160340363-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 SIGMAR1 140/4885TP53 3226/4885CYP1A2 2125/4885
US-10179791-B2 Spiro-cyclic amine derivatives as S1P modulators S1PR3, S1PR1, S1PR2 SIGMAR1 152/4885TP53 4133/4885CYP1A2 2164/4885
US-20210130364-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 SIGMAR1 151/4885TP53 3161/4885CYP1A2 2219/4885

“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.