SCHEMBL320965

SCHEMBL320965

CCc1cccc(F)c1CO

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.46
GABRB2 P47870 3/20 0.46
TAAR1 Q96RJ0 3/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
RIPK1 Q13546 3/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
GAA P10253 1/20 0.36
HTR1A P08908 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL5853395 0.85 GABRA1 (0.46) GABRA1GABRB2TAAR1RIPK1KDM4E
SCHEMBL620083 0.85 TAAR1 (0.42) GABRA1TAAR1GABRG2GABRB3KDM4E
SCHEMBL320050 0.84 GABRA1 (0.56) GABRA1GABRB2TAAR1GABRG2GABRB3
SCHEMBL16962802 0.83 GABRA1 (0.41) GABRA1GABRB2TAAR1RIPK1KDM4E
SCHEMBL17417172 0.80 GABRA1 (0.52) GABRA1GABRB2TAAR1GABRG2GABRB3
SCHEMBL113326 0.79 TAAR1 (0.48) GABRA1TAAR1GABRG2GABRB3KDM4E
SCHEMBL20252575 0.79 TAAR1 (0.43) GABRA1GABRB2TAAR1KDM4EALDH1A1
SCHEMBL18984003 0.79 GABRA1 (0.46) GABRA1GABRB2TAAR1RIPK1KDM4E
SCHEMBL14140079 0.79 GABRA1 (0.41) GABRA1GABRB2TAAR1RIPK1KDM4E
SCHEMBL8223510 0.79 TAAR1 (0.47) GABRA1TAAR1GABRG2GABRB3GAA

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 16 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-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
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
EP-2590955-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2013-05-15 EP disclosed
CN-103097364-A Spiro-piperidine derivatives as S1P modulators ABBOTT HEALTHCARE PRODUCTS BV 2013-05-08 CN disclosed
WO-2012004378-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS ABBOTT HEALTHCARE PRODUCTS B.V. (NL) 2012-01-12 WO disclosed
EP-2225202-B1 Preparation of dihydropyrrol derivatives as intermediates HOFFMANN LA ROCHE (CH) 2011-12-28 EP 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 GABRA1 2678/4885GABRB2 3723/4885TAAR1 22/4885
US-20130196998-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 GABRA1 2826/4885GABRB2 2431/4885TAAR1 39/4885
US-20190218227-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 GABRA1 2631/4885GABRB2 3777/4885TAAR1 21/4885
US-10807991-B2 Spiro-cyclic amine derivatives as S1P modulators S1PR1, S1PR3, S1PR2 GABRA1 2678/4885GABRB2 3723/4885TAAR1 22/4885
US-20160340363-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 GABRA1 2631/4885GABRB2 3777/4885TAAR1 21/4885
US-10179791-B2 Spiro-cyclic amine derivatives as S1P modulators S1PR3, S1PR1, S1PR2 GABRA1 2826/4885GABRB2 2431/4885TAAR1 39/4885
US-20210130364-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 GABRA1 2678/4885GABRB2 3723/4885TAAR1 22/4885

“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.