SCHEMBL320767

SCHEMBL320767

COc1ccc2c(c1)C1(CCN(Cc3ccccc3)CC1)CO2

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.63
DRD2 P14416 2/20 0.49
DRD3 P35462 2/20 0.49
S1PR5 Q9H228 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47
SCN5A Q14524 1/20 0.47
SCN9A Q15858 1/20 0.47
S1PR1 P21453 1/20 0.46
S1PR3 Q99500 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
SCHEMBL15144639 0.91 SIGMAR1 (0.60) SIGMAR1S1PR5S1PR1S1PR3
Hydrochloric Acid SCHEMBL325492 0.89 SIGMAR1 (0.60) SIGMAR1S1PR5S1PR1S1PR3
SCHEMBL321047 0.85 S1PR5 (0.52) SIGMAR1S1PR5KMT2ATSHRS1PR1
SCHEMBL326329 0.85 S1PR5 (0.52) SIGMAR1S1PR5KMT2ATSHRS1PR1
SCHEMBL326394 0.85 S1PR5 (0.52) SIGMAR1S1PR5KMT2ATSHRS1PR1
SCHEMBL1269040 0.84 SIGMAR1 (0.56) SIGMAR1DRD2DRD3S1PR5ALDH1A1
SCHEMBL10265348 0.83 SIGMAR1 (0.61) SIGMAR1DRD2DRD3S1PR5OPRM1
SCHEMBL1587952 0.82 SIGMAR1 (0.57) SIGMAR1DRD2S1PR5ALDH1A1KMT2A
Bromide SCHEMBL325898 0.82 SIGMAR1 (0.60) SIGMAR1DRD2DRD3S1PR5OPRM1
SCHEMBL31236079 0.82 SIGMAR1 (0.47) SIGMAR1DRD2DRD3S1PR5ALDH1A1

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
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 SIGMAR1 151/4885DRD2 505/4885DRD3 444/4885
US-20130196998-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 SIGMAR1 152/4885DRD2 755/4885DRD3 339/4885
US-20190218227-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 SIGMAR1 140/4885DRD2 518/4885DRD3 439/4885
US-10807991-B2 Spiro-cyclic amine derivatives as S1P modulators S1PR1, S1PR3, S1PR2 SIGMAR1 151/4885DRD2 505/4885DRD3 444/4885
US-20160340363-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 SIGMAR1 140/4885DRD2 518/4885DRD3 439/4885
US-10179791-B2 Spiro-cyclic amine derivatives as S1P modulators S1PR3, S1PR1, S1PR2 SIGMAR1 152/4885DRD2 755/4885DRD3 339/4885
US-20210130364-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 SIGMAR1 151/4885DRD2 505/4885DRD3 444/4885

“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.