SCHEMBL326483

SCHEMBL326483

COCOc1ccc2c(c1C)OCC21CCN(Cc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 6/20 0.53
SIGMAR1 Q99720 11/20 0.42
S1PR1 P21453 4/20 0.41
CYP2D6 P10635 3/20 0.40
TP53 P04637 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
TSHR P16473 2/20 0.40
CYP2C19 P33261 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2C9 P11712 1/20 0.40
ADRA2A P08913 2/20 0.40
CHRM2 P08172 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2A P28223 2/20 0.39
DRD2 P14416 1/20 0.39
NFKB1 P19838 1/20 0.39
HTR2C P28335 1/20 0.39
MAPK1 P28482 1/20 0.39
HTR2B P41595 1/20 0.39

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
SCHEMBL326522 0.89 S1PR5 (0.42) S1PR5SIGMAR1S1PR1CYP2D6TP53
Hydrochloric Acid SCHEMBL326399 0.79 SIGMAR1 (0.47) S1PR5SIGMAR1CYP2D6TP53CYP1A2
SCHEMBL326408 0.78 S1PR5 (0.59) S1PR5SIGMAR1S1PR1
SCHEMBL327008 0.78 S1PR5 (0.53) S1PR5SIGMAR1S1PR1CYP2D6TP53
SCHEMBL326116 0.77 S1PR5 (0.59) S1PR5SIGMAR1S1PR1CYP2D6TP53
SCHEMBL25343274 0.74 MEN1 (0.47) S1PR5SIGMAR1CYP2D6ALDH1A1MEN1
SCHEMBL15144639 0.71 SIGMAR1 (0.60) S1PR5SIGMAR1S1PR1
SCHEMBL18657304 0.71 SIGMAR1 (0.60) S1PR5SIGMAR1S1PR1CYP2D6TP53
Hydrochloric Acid SCHEMBL325492 0.70 SIGMAR1 (0.60) S1PR5SIGMAR1S1PR1
SCHEMBL25343256 0.70 SIGMAR1 (0.43) S1PR5SIGMAR1S1PR1CYP2D6TP53

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 11 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-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-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
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
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 (5 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 S1PR5 4/4885SIGMAR1 151/4885S1PR1 1/4885
US-20130196998-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 S1PR5 5/4885SIGMAR1 152/4885S1PR1 2/4885
US-20160340363-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 S1PR5 4/4885SIGMAR1 140/4885S1PR1 1/4885
US-10179791-B2 Spiro-cyclic amine derivatives as S1P modulators S1PR3, S1PR1, S1PR2 S1PR5 5/4885SIGMAR1 152/4885S1PR1 2/4885
US-20210130364-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 S1PR5 4/4885SIGMAR1 151/4885S1PR1 1/4885

“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.