SCHEMBL2081445

SCHEMBL2081445

CCOC(=O)C1c2ccc(O)cc2CCN1C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 4/20 0.49
GHSR Q92847 16/20 0.47
ESR1 P03372 3/20 0.47

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
SCHEMBL4481872 0.91 ESR2 (0.49) ESR2GHSRESR1
SCHEMBL25895663 0.90 GHSR (0.46) GHSR
SCHEMBL3056292 0.88 ESR2 (0.52) ESR2GHSRESR1
SCHEMBL14863068 0.88 ESR2 (0.52) ESR2GHSRESR1
SCHEMBL3075924 0.88 ESR2 (0.52) ESR2GHSRESR1
SCHEMBL17391023 0.88 GHSR (0.47) GHSR
SCHEMBL17726457 0.88 GHSR (0.56) ESR2GHSRESR1
SCHEMBL17391030 0.87 GHSR (0.54) GHSR
SCHEMBL17391179 0.87 GHSR (0.46) GHSR
SCHEMBL17391103 0.87 GHSR (0.57) GHSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118580188-A Can be used as ROR gamma regulator aniline compound (B) 励缔(杭州)医药科技有限公司 2024-09-03 CN disclosed
CN-113666863-B Biaryl compounds useful as rory modulators 励缔(杭州)医药科技有限公司 2024-06-11 CN disclosed
CN-113773251-B Anilines useful as rory modulators 励缔(杭州)医药科技有限公司 2024-06-11 CN disclosed
US-20230192620-A1 ANILINE COMPOUND USED AS RORy REGULATOR SHANGHAI LITEDD CO., LTD. (CN) 2023-06-22 US disclosed
US-20230192620-A1 ANILINE COMPOUND USED AS RORy REGULATOR SHANGHAI LITEDD CO., LTD. (CN) 2023-06-22 US disclosed
CN-113773251-A Anilines useful as ROR gamma modulators 上海辉启生物医药科技有限公司 2021-12-10 CN disclosed
CN-113666863-A Biaryl compounds useful as ROR gamma modulators 上海辉启生物医药科技有限公司 2021-11-19 CN disclosed
WO-2021228217-A1 ANILINE COMPOUND USED AS RORγ REGULATOR 上海辉启生物医药科技有限公司 2021-11-18 WO disclosed
WO-2021228216-A1 BIARYL COMPOUND CAPABLE OF SERVING AS RORγ MODULATOR 上海辉启生物医药科技有限公司 2021-11-18 WO disclosed
US-20180319812-A1 HETEROCYCLIC COMPOUND ACTION MEDICAL TECHNOLOGIES, LLC 2018-11-08 US disclosed
US-8163756-B2 For example,1-(3-t-butyl-1- (1,2,3,4-tetrahydro- isoquinolin-6-yl)-1H- pyrazol-5-yl)-3-(3- cyanophenyl)urea; for treatment of mammalian cancers and inflammatory diseases including rheumatoid arthritis, retinopathies DECIPHERA PHARMACEUTICALS, LLC (US) 2012-04-24 US disclosed
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2008-05-15 US disclosed
EP-1835934-A2 ENZYME MODULATORS AND TREATMENTS Deciphera Pharmaceuticals, LLC (US) 2007-09-26 EP disclosed
US-20070078121-A1 Enzyme modulators and treatments DECIPHERA PHARMACEUTICALS, LLC 2007-04-05 US disclosed
WO-2006071940-A2 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-07-06 WO disclosed
EP-0658545-B1 Decahydro-isoquinoline derivatives LILLY CO ELI (US) 1999-09-29 EP disclosed
EP-0383504-B1 Decahydro isoquinoline derivatives, process for their preparation and use as medicines LILLY CO ELI (US) 1995-07-19 EP disclosed
EP-0658545-A1 Decahydro-isoquinoline derivatives ELI LILLY AND COMPANY (US) 1995-06-21 EP disclosed
EP-0383504-A2 Decahydro isoquinoline derivatives, process for their preparation and use as medicines ELI LILLY AND COMPANY (US) 1990-08-22 EP disclosed
US-4902695-A ISOQUINOLINE DERIVATIVES; NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY (US) 1990-02-20 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 (4 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-20180319812-A1 HETEROCYCLIC COMPOUND RORC, RORB, RORA ESR2 248/4885GHSR 675/4885ESR1 656/4885
US-20230192620-A1 ANILINE COMPOUND USED AS RORy REGULATOR RORB, RORA, RORC ESR2 342/4885GHSR 691/4885ESR1 1922/4885
US-20070078121-A1 Enzyme modulators and treatments ABL1, ABL2, LCK ESR2 1406/4885GHSR 2085/4885ESR1 978/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 ESR2 2347/4885GHSR 2365/4885ESR1 1955/4885

“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.