SCHEMBL320050

SCHEMBL320050

CCc1cccc(CC)c1CO

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.56
GABRB2 P47870 4/20 0.56
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
TAAR1 Q96RJ0 2/20 0.41
HTR1A P08908 1/20 0.41
MGLL Q99685 1/20 0.40
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
KCNH2 Q12809 1/20 0.38
SCN5A Q14524 1/20 0.38
DAO P14920 3/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
CLCN2 P51788 1/20 0.36
DDO Q99489 1/20 0.36

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
SCHEMBL17417172 0.95 GABRA1 (0.52) GABRA1GABRB2GABRG2GABRB3TAAR1
SCHEMBL4886256 0.86 GABRA1 (0.48) GABRA1GABRB2GABRG2GABRB3TAAR1
SCHEMBL460389 0.85 GABRA1 (0.52) GABRA1GABRB2GABRG2GABRB3TAAR1
SCHEMBL320965 0.84 GABRA1 (0.46) GABRA1GABRB2GABRG2GABRB3TAAR1
SCHEMBL321361 0.84 GABRA1 (0.46) GABRA1GABRB2GABRG2GABRB3TAAR1
SCHEMBL245773 0.80 GABRA1 (0.57) GABRA1GABRB2TAAR1HTR1AMGLL
SCHEMBL27388 0.80 APOBEC3G (0.46) GABRA1GABRB2GABRG2GABRB3PDCD1
SCHEMBL9746434 0.80 GABRA1 (0.41) GABRA1GABRB2GABRG2GABRB3HTR1A
SCHEMBL12280908 0.80 GABRA1 (0.52) GABRA1GABRB2TAAR1HTR1AKCNH2
SCHEMBL21205715 0.80 GABRA1 (0.42) GABRA1GABRB2GABRG2GABRB3TAAR1

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 44 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-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-101918375-A Benzodiazepinone compounds useful in the treatment of skin conditions UNIV MICHIGAN 2010-12-15 CN disclosed
EP-2217576-A2 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS The Regents of the University of Michigan (US) 2010-08-18 EP disclosed
WO-2009061916-A2 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-05-14 WO disclosed
US-20090118244-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-05-07 US disclosed
EP-0565488-B1 Fluorine free titanocenes and their application CIBA GEIGY AG (CH) 1999-04-21 EP disclosed
US-5340701-A Photoinitiators CIBA-GEIGY CORPORATION (US) 1994-08-23 US disclosed
EP-0565488-A1 Fluorine free titanocenes and their application CIBA-GEIGY AG (CH) 1993-10-13 EP disclosed
US-5149884-A Oxidative dehydrogenation of aromatic or aliphatic alcohols in gas phase BASF AKTIENGESELLSCHAFT (DE) 1992-09-22 US disclosed
EP-0244632-B1 TUBE BUNDLE REACTOR, ITS USE IN EXOTHERMAL ORGANIC REACTIONS AND PROCESS FOR THE PREPARATION OF KETONES AND ALDEHYDES BASF Aktiengesellschaft (DE) 1991-02-20 EP disclosed
US-4224254-A OXIDATION OF AROMATIC ALCOHOLS, SILVER CATALYST BASF AKTIENGESELLSCHAFT (DE) 1980-09-23 US 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 3723/4885GABRG2 3923/4885
US-20190218227-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 GABRA1 2631/4885GABRB2 3777/4885GABRG2 4003/4885
US-10807991-B2 Spiro-cyclic amine derivatives as S1P modulators S1PR1, S1PR3, S1PR2 GABRA1 2678/4885GABRB2 3723/4885GABRG2 3923/4885
US-20090118244-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS RORC, RORA, RORB GABRA1 210/4885GABRB2 231/4885GABRG2 353/4885
US-20160340363-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 GABRA1 2631/4885GABRB2 3777/4885GABRG2 4003/4885
US-10179791-B2 Spiro-cyclic amine derivatives as S1P modulators S1PR3, S1PR1, S1PR2 GABRA1 2826/4885GABRB2 2431/4885GABRG2 3225/4885
US-20210130364-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 GABRA1 2678/4885GABRB2 3723/4885GABRG2 3923/4885

“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.