SCHEMBL5518522

SCHEMBL5518522

CC(C)C(C)(C)C(=O)N(C)C

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
POLB P06746 1/20 0.30

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
SCHEMBL6656541 0.79 POLB (0.32) POLB
SCHEMBL2947259 0.78 ALDH1A1 (0.32) ALDH1A1TSHRPOLB
SCHEMBL5512354 0.75 FAAH (0.32)
SCHEMBL12927421 0.74
SCHEMBL12884950 0.74 CA12 (0.35)
SCHEMBL14113105 0.72
SCHEMBL5512327 0.72 CHRNB2 (0.40)
SCHEMBL5516478 0.72 MVD (0.32) TSHR
SCHEMBL1106444 0.72
SCHEMBL18907738 0.71 RAB9A (0.36) ALDH1A1TSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240216377-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE CORPORATION 2024-07-04 US disclosed
US-11819505-B2 Heterocyclylamines as PI3K inhibitors INCYTE CORPORATION (US) 2023-11-21 US disclosed
US-11819505-B2 Heterocyclylamines as PI3K inhibitors INCYTE CORPORATION (US) 2023-11-21 US disclosed
US-20230121440-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE HOLDINGS CORPORATION 2023-04-20 US disclosed
WO-2022095756-A1 MUTANT IDH1 AND IDH2 INHIBITOR AND APPLICATION THEREOF 贝达药业股份有限公司 2022-05-12 WO disclosed
US-20210122739-A1 NOVEL SULFONAMIDE CARBOXAMIDE COMPOUNDS INFLAZOME LIMITED (IE) 2021-04-29 US disclosed
US-20210078951-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. 2021-03-18 US disclosed
US-20200323858-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE CORPORATION 2020-10-15 US disclosed
US-10800791-B2 Triazole ACC inhibitors and uses thereof GILEAD APOLLO, LLC (US) 2020-10-13 US disclosed
US-10646492-B2 Heterocyclylamines as PI3K inhibitors INCYTE CORPORATION (US) 2020-05-12 US disclosed
US-20160022685-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE CORPORATION 2016-01-28 US disclosed
US-20160024117-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE CORPORATION 2016-01-28 US disclosed
US-9199982-B2 Heterocyclylamines as PI3K inhibitors INCYTE HOLDINGS CORPORATION (US) 2015-12-01 US disclosed
US-20150133428-A1 NOVEL SUBSTITUTED PYRAZOLO-PIPERAZINES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-05-14 US disclosed
US-20130059835-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2013-03-07 US disclosed
US-8367666-B2 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO., LTD. (JP) 2013-02-05 US disclosed
US-8178681-B2 methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency SHIONOGI & CO., LTD. (JP) 2012-05-15 US disclosed
US-8178681-B2 methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency SHIONOGI & CO., LTD. (JP) 2012-05-15 US disclosed
US-4461887-A AND PIPERAZINE FORMING POLYAMIDES POLAROID CORPORATION (US) 1984-07-24 US disclosed
US-4393196-A POLYACYLHYDRAZIDES, OPTICAL FILTERS, POLARIZERS POLAROID CORPORATION (US) 1983-07-12 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-20230121440-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB ALDH1A1 3232/4885TSHR 3486/4885POLB 1792/4885
US-20240216377-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB ALDH1A1 3232/4885TSHR 3486/4885POLB 1792/4885
US-20160024117-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB ALDH1A1 3232/4885TSHR 3486/4885POLB 1792/4885
US-20210122739-A1 NOVEL SULFONAMIDE CARBOXAMIDE COMPOUNDS NLRP3, PYCARD, NOD1 ALDH1A1 1660/4885TSHR 4076/4885POLB 4857/4885
US-11819505-B2 Heterocyclylamines as PI3K inhibitors PIK3CA, PIK3CD, PIK3CB ALDH1A1 3232/4885TSHR 3486/4885POLB 1792/4885
US-20210078951-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 ALDH1A1 686/4885TSHR 3035/4885POLB 2003/4885
US-10646492-B2 Heterocyclylamines as PI3K inhibitors PIK3CA, PIK3CD, PIK3CB ALDH1A1 3232/4885TSHR 3486/4885POLB 1792/4885
US-20160022685-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB ALDH1A1 3232/4885TSHR 3486/4885POLB 1792/4885
US-10800791-B2 Triazole ACC inhibitors and uses thereof ACACA, ACACB, ACAT1 ALDH1A1 203/4885TSHR 4028/4885POLB 1760/4885
US-20150133428-A1 NOVEL SUBSTITUTED PYRAZOLO-PIPERAZINES AS CASEIN KINASE 1 D/E INHIBITORS CSNK1E, CSNK1A1, CSNK1G1 ALDH1A1 2162/4885TSHR 4305/4885POLB 3064/4885
US-20200323858-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB ALDH1A1 3232/4885TSHR 3486/4885POLB 1792/4885
US-20130059835-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB ALDH1A1 3232/4885TSHR 3486/4885POLB 1792/4885

“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.