SCHEMBL1011003

SCHEMBL1011003

CC(C)(C)OC(=O)N1CCc2ccc(Br)cc2C1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.72
ESR2 Q92731 2/20 0.66
ABHD6 Q9BV23 3/20 0.64
HDAC1 Q13547 1/20 0.49
MAPK1 P28482 1/20 0.48
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
HSD17B3 P37058 1/20 0.44
IGF1R P08069 1/20 0.44
HDAC6 Q9UBN7 2/20 0.43
MAPT P10636 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43
ESR1 P03372 1/20 0.43
USP30 Q70CQ3 1/20 0.42
HDAC8 Q9BY41 1/20 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
SCHEMBL29587073 1.00 NR1H2 (0.72) NR1H2ESR2ABHD6HDAC1MAPK1
Hydrochloric Acid SCHEMBL38653092 0.99 NR1H2 (0.70) NR1H2ESR2ABHD6HDAC1MAPK1
SCHEMBL587847 0.95 ESR2 (0.74) NR1H2ESR2ABHD6HDAC1MAPK1
SCHEMBL29528794 0.95 ESR2 (0.74) NR1H2ESR2ABHD6HDAC1MAPK1
SCHEMBL24265586 0.92 NR1H2 (0.62) NR1H2ESR2ABHD6HDAC1MAPK1
SCHEMBL29574152 0.92 NR1H2 (0.62) NR1H2ESR2ABHD6HDAC1MAPK1
SCHEMBL1263942 0.92 ESR2 (0.61) NR1H2ESR2ABHD6HDAC1NPC1
SCHEMBL30951607 0.89 ABHD6 (0.60) NR1H2ESR2ABHD6HDAC1MAPK1
SCHEMBL330056 0.89 ABHD6 (0.60) NR1H2ESR2ABHD6HDAC1MAPK1
SCHEMBL30199596 0.88 NR1H2 (0.63) NR1H2ESR2ABHD6HDAC1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260132132-A1 3A,4,5,6-TETRAHYDRO-1 H-PYRAZOLO[3,4-C]PYRIDIN-7(7AH)-ONE DERIVATIVES AS FACTOR XIIA INHIBITORS KALVISTA PHARMACEUTICALS LTD (GB) 2026-05-14 US disclosed
EP-4741375-A1 SULFONYLUREA DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER Qubit Pharmaceuticals (FR) 2026-05-13 EP disclosed
EP-4720038-A1 (HETERO)ARYL-CARBONYL-HETEROBICYCLIC COMPOUNDS AS INHIBITORS OF PMS2 FOR CANCER AND DEGENERATIVE ILLNESSES Neophore Limited (GB) 2026-04-08 EP disclosed
US-20260092059-A1 Broad Spectrum Antiviral Compositions and Methods EVRYS BIO, LLC (US) 2026-04-02 US disclosed
US-20260062443-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ALEXION PHARMA INC (US) 2026-03-05 US disclosed
EP-4688779-A2 NOVEL COMPOUNDS AND USES THEREOF Acelink Therapeutics, Inc. (US) 2026-02-11 EP disclosed
EP-4676476-A1 INHIBITORS OF TDP-43 AND TAU AGGREGATION Aquinnah Pharmaceuticals, Inc. (US) 2026-01-14 EP disclosed
EP-4667471-A2 BROAD SPECTRUM ANTIVIRAL COMPOSITIONS AND METHODS Evrys Bio, LLC (US) 2025-12-24 EP disclosed
US-20250382293-A1 COMPOUNDS AND METHODS FOR YAP/TEAD MODULATION AND INDICATIONS THEREFOR Opna Bio SA (CH) 2025-12-18 US disclosed
US-20250376445-A1 COMPOUNDS AND METHODS FOR YAP/TEAD MODULATION AND INDICATIONS THEREFOR Opna Bio SA (CH) 2025-12-11 US disclosed
WO-2007056170-A2 PYRROLO[2,1-F] [1,2,4] TRIAZIN-4-YLAMINES IGF-1R KINASE INHIBITORS FOR THE TREATMENT OF CANCER AND OTHER HYPERPROLIFERATIVE DISEASES BAYER HEALTHCARE AG (DE) 2007-05-18 WO disclosed
US-7166614-B2 Tetrahydropyranyl cyclopentyl tetrahydroisoquinoline modulators of chemokine receptor activity MERCK & CO., INC. (US) 2007-01-23 US disclosed
US-20060089379-A1 Tetrahydropyranyl cyclopentyl tetrahydroisoquinoline modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2006-04-27 US disclosed
EP-1501803-A4 TETRAHYDROPYRANYL CYCLOPENTYL TETRAHYDROISOQUINOLINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2006-04-26 EP disclosed
EP-1501803-A2 TETRAHYDROPYRANYL CYCLOPENTYL TETRAHYDROISOQUINOLINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2005-02-02 EP disclosed
WO-2003093231-A2 TETRAHYDROPYRANYL CYCLOPENTYL TETRAHYDROISOQUINOLINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2003-11-13 WO disclosed
EP-1045843-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-10-24 EP disclosed
EP-1045843-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-10-25 EP disclosed
US-5977134-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-11-02 US disclosed
WO-1999028313-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-06-10 WO 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 (6 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-20260132132-A1 3A,4,5,6-TETRAHYDRO-1 H-PYRAZOLO[3,4-C]PYRIDIN-7(7AH)-ONE DERIVATIVES AS FACTOR XIIA INHIBITORS F11, F13B, F7 NR1H2 1619/4885ESR2 2561/4885ABHD6 4137/4885
US-20260092059-A1 Broad Spectrum Antiviral Compositions and Methods IRF3, ZC3HAV1, ZC3HAV1L NR1H2 105/4885ESR2 1129/4885ABHD6 3137/4885
US-20260062443-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS C9, SSB, C1S NR1H2 1693/4885ESR2 3446/4885ABHD6 2633/4885
US-20250376445-A1 COMPOUNDS AND METHODS FOR YAP/TEAD MODULATION AND INDICATIONS THEREFOR YAP1, YES1, LATS1 NR1H2 167/4885ESR2 898/4885ABHD6 3509/4885
US-20060089379-A1 Tetrahydropyranyl cyclopentyl tetrahydroisoquinoline modulators of chemokine receptor activity CCR2, CCR5, CCR1 NR1H2 40/4885ESR2 523/4885ABHD6 4358/4885
US-20250382293-A1 COMPOUNDS AND METHODS FOR YAP/TEAD MODULATION AND INDICATIONS THEREFOR YAP1, YES1, TEAD2 NR1H2 200/4885ESR2 1051/4885ABHD6 3409/4885

“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.