SCHEMBL606742

SCHEMBL606742

COc1cc2c(cc1F)CCC2=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.47
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
USP2 O75604 1/20 0.43
S100A4 P26447 1/20 0.43
TUBB4A P04350 2/20 0.42
TUBB P07437 2/20 0.42
TUBA3C P0DPH7 2/20 0.42
TUBA1B P68363 2/20 0.42
TUBA4A P68366 2/20 0.42
TUBB4B P68371 2/20 0.42
TUBB3 Q13509 2/20 0.42
TUBB2A Q13885 2/20 0.42
TUBB8 Q3ZCM7 2/20 0.42
TUBA3E Q6PEY2 2/20 0.42
TUBA1A Q71U36 2/20 0.42
TUBA1C Q9BQE3 2/20 0.42
TUBB6 Q9BUF5 2/20 0.42

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
SCHEMBL3972786 0.93 TUBB4A (0.46) PTGS2KDM4EALDH1A1MEN1KMT2A
SCHEMBL346342 0.90 HSD17B1 (0.49) PTGS2KDM4EALDH1A1MEN1KMT2A
SCHEMBL29420326 0.85 KMT2A (0.56) KDM4EALDH1A1MEN1KMT2AUSP2
SCHEMBL354177 0.85 KMT2A (0.56) KDM4EALDH1A1MEN1KMT2AUSP2
SCHEMBL29420327 0.85 KMT2A (0.56) KDM4EALDH1A1MEN1KMT2AUSP2
SCHEMBL25369104 0.83 HSD17B1 (0.46) PTGS2KDM4EALDH1A1MEN1KMT2A
SCHEMBL11461839 0.83 HSD17B1 (0.49) KDM4EALDH1A1MEN1KMT2ATUBB4A
SCHEMBL30558410 0.83 HSD17B1 (0.49) KDM4EALDH1A1MEN1KMT2ATUBB4A
SCHEMBL3972764 0.81 PTGS2 (0.42) PTGS2KDM4EHPGDHSD17B1MAPK14
SCHEMBL1561740 0.80 HTR2A (0.51) PTGS2KDM4EALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12617802-B2 Sulfonimidamide compounds as NLRP3 modulators GENENTECH, INC. (US) 2026-05-05 US disclosed
US-20230159555-A1 SULFONIMIDAMIDE COMPOUNDS AS NLRP3 MODULATORS GENENTECH, INC. (US) 2023-05-25 US disclosed
CN-115461120-A Sulfonylimide compounds as NLRP3 modulators 豪夫迈·罗氏有限公司 2022-12-09 CN disclosed
US-9227930-B2 Aminoindane derivatives, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. (US) 2016-01-05 US disclosed
EP-2500345-B1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2015-01-28 EP disclosed
US-8933229-B2 8-azabicyclo[3.2.1]octane-8-carboxamide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2015-01-13 US disclosed
US-8933229-B2 8-azabicyclo[3.2.1]octane-8-carboxamide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2015-01-13 US disclosed
US-20140309206-A1 AMINOINDANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT LABORATORIES 2014-10-16 US disclosed
US-8846743-B2 Aminoindane derivatives, pharmaceutical compositions containing them, and their use in therapy ABBOTT LABORATORIES (US) 2014-09-30 US disclosed
EP-2603481-B1 AMINOINDANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT GMBH & CO KG (DE) 2014-09-17 EP disclosed
US-6034239-A BINDIG TO MELATONIN RECEPTORS; SLEEP DISORDERS; GLANDULAR DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-03-07 US disclosed
US-5922771-A MELATONIN RECEPTOR AGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-13 US disclosed
EP-0885210-A1 Tricylic compounds having binding affinity for melatonin receptors, their production and use Takeda Chemical Industries, Ltd. (JP) 1998-12-23 EP disclosed
US-5780470-A TREATING SLEEP DISORDERS AND DEPRESSION BRISTOL-MYERS SQUIBB COMPANY (US) 1998-07-14 US disclosed
EP-0848699-A1 BENZOCYCLOALKENE COMPOUNDS WITH MELATONINE RECEPTOR BINDING AFFINITY, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1998-06-24 EP disclosed
US-5703239-A CENTRAL NERVOUS SYSTEM DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 1997-12-30 US disclosed
WO-1997032871-A1 TRICYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-09-12 WO disclosed
WO-1997005098-A1 BENZOCYCLOALKENE COMPOUNDS WITH MELATONINE RECEPTOR BINDING AFFINITY, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-02-13 WO disclosed
EP-0745597-A2 Novel melatonergic indanyl piperazines or homopiperazines BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-04 EP disclosed
EP-0745591-A1 Indanylpiperidines as melatonergic agents BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-04 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 (3 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-20140309206-A1 AMINOINDANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AADAT, BCAT1, GFPT1 PTGS2 359/4885KDM4E 3627/4885ALDH1A1 1243/4885
US-20230159555-A1 SULFONIMIDAMIDE COMPOUNDS AS NLRP3 MODULATORS NLRP3, NLRP1, PYCARD PTGS2 1545/4885KDM4E 3719/4885ALDH1A1 2491/4885
US-12617802-B2 Sulfonimidamide compounds as NLRP3 modulators NLRP3, NLRP1, PYCARD PTGS2 1204/4885KDM4E 4052/4885ALDH1A1 2022/4885

“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.