SCHEMBL605889

SCHEMBL605889

CC(C)C(=O)NNC(=O)C(C)C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 2/20 0.43
HTT P42858 2/20 0.43
TP53 P04637 2/20 0.36
MDM4 O15151 1/20 0.36
KMT2A Q03164 2/20 0.34
RXFP1 Q9HBX9 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 2/20 0.34
CYP1A2 P05177 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
TSHR P16473 2/20 0.33
CETP P11597 1/20 0.33
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL7561299 0.87 GAA (0.41) GAAALDH1A1KDM4EHTTTP53
SCHEMBL9487454 0.87 GAA (0.41) GAAALDH1A1KDM4EHTTTP53
SCHEMBL18076628 0.87 GAA (0.46) GAAALDH1A1KDM4EHTTTP53
SCHEMBL30539211 0.85 DPP4 (0.44) GAAALDH1A1KDM4EHTT
SCHEMBL4553950 0.83
SCHEMBL12989511 0.83 GAA (0.39) GAAALDH1A1KDM4EHTTKMT2A
SCHEMBL1528231 0.83 GAA (0.39) GAAALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL11926269 0.81 GAA (0.41) GAAALDH1A1KDM4EHTTTP53
SCHEMBL20851639 0.81 ALDH1A1 (0.39) GAAALDH1A1KDM4EHTTKMT2A
SCHEMBL17280409 0.79 TSHR (0.40) GAAALDH1A1KDM4EHTTKMT2A

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11718628-B2 SREBP inhibitors comprising a 6-membered central ring CAPULUS THERAPEUTICS, LLC (US) 2023-08-08 US disclosed
US-20230242568-A1 POLYMER LINKED MULTIMERS OF GUANOSINE-3', 5'-CYCLIC MONOPHOSPHATES MIRECA MEDICINES GMBH (DE) 2023-08-03 US disclosed
US-20210317156-A1 NEW POLYMER LINKED MULTIMERS OF GUANOSINE-3', 5'-CYCLIC MONOPHOSPHATES MIRECA MEDICINES GMBH (DE) 2021-10-14 US disclosed
US-20190292214-A1 NEW EQUATORIALLY MODIFIED POLYMER LINKED MULTIMERS OF GUANOSINE-3', 5'-CYCLIC MONOPHOSPHATES MIRECA MEDICINES GMBH (DE) 2019-09-26 US disclosed
US-9586945-B2 Aminochromane, aminothiochromane and amino-1,2,3,4-tetrahydroquinoline derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2017-03-07 US disclosed
US-9365512-B2 Isoindoline derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2016-06-14 US disclosed
US-20160145197-A1 PROCESS FOR PREPARING BICYCLIC AMINE DERIVATIVES ABBVIE INC. 2016-05-26 US disclosed
US-9249138-B2 Anti-viral compounds ABBVIE INC. (US) 2016-02-02 US disclosed
US-9238619-B2 Phenalkylamine derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2016-01-19 US disclosed
US-9163017-B2 Anti-viral compounds ABBVIE INC. (US) 2015-10-20 US disclosed
US-20140213595-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. (US) 2014-07-31 US disclosed
US-20140213601-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. (US) 2014-07-31 US disclosed
US-8563617-B2 Aminotetraline derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2013-10-22 US disclosed
US-8546405-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2013-10-01 US disclosed
US-8541424-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2013-09-24 US disclosed
US-20130203749-A1 Tetrahydroisoquinolines, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. (US) 2013-08-08 US disclosed
US-20120295881-A1 TETRALINE AND INDANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT GMBH & CO. KG (DE) 2012-11-22 US disclosed
US-20120040948-A1 AMINOINDANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT LABORATORIES (US) 2012-02-16 US disclosed
US-20100168138-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-07-01 US disclosed
US-20100160355-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-06-24 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 (12 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-20100168138-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS GAA 223/4885ALDH1A1 2858/4885KDM4E 2318/4885
US-11718628-B2 SREBP inhibitors comprising a 6-membered central ring SREBF1, SREBF2, XBP1 GAA 1805/4885ALDH1A1 2993/4885KDM4E 3805/4885
US-20230242568-A1 POLYMER LINKED MULTIMERS OF GUANOSINE-3', 5'-CYCLIC MONOPHOSPHATES PRKG1, PRKG2, PRKAG3 GAA 592/4885ALDH1A1 3952/4885KDM4E 598/4885
US-20140213595-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS GAA 223/4885ALDH1A1 2858/4885KDM4E 2318/4885
US-20130203749-A1 Tetrahydroisoquinolines, pharmaceutical compositions containing them, and their use in therapy GOLT1B, SLC10A1, SUGT1 GAA 349/4885ALDH1A1 1730/4885KDM4E 3292/4885
US-20120040948-A1 AMINOINDANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AADAT, BCAT1, GFPT1 GAA 1148/4885ALDH1A1 1243/4885KDM4E 3627/4885
US-20100160355-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS GAA 223/4885ALDH1A1 2858/4885KDM4E 2318/4885
US-20140213601-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS GAA 223/4885ALDH1A1 2858/4885KDM4E 2318/4885
US-20160145197-A1 PROCESS FOR PREPARING BICYCLIC AMINE DERIVATIVES HRH4, HRH3, HRH1 GAA 4063/4885ALDH1A1 2790/4885KDM4E 2256/4885
US-20120295881-A1 TETRALINE AND INDANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY SLC10A1, SUGT1, SLC10A2 GAA 1038/4885ALDH1A1 1378/4885KDM4E 4609/4885
US-20190292214-A1 NEW EQUATORIALLY MODIFIED POLYMER LINKED MULTIMERS OF GUANOSINE-3', 5'-CYCLIC MONOPHOSPHATES PDE7A, PRKG1, PDE4C GAA 762/4885ALDH1A1 3355/4885KDM4E 1445/4885
US-20210317156-A1 NEW POLYMER LINKED MULTIMERS OF GUANOSINE-3', 5'-CYCLIC MONOPHOSPHATES PRKG1, PRKG2, PDE7A GAA 627/4885ALDH1A1 3981/4885KDM4E 638/4885

“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.