SCHEMBL3069653

SCHEMBL3069653

CC(C)(C)OC(=O)N1CCc2cc(O)ccc2C1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 4/20 0.54
GHSR Q92847 16/20 0.50
ESR1 P03372 3/20 0.46

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
Ethane SCHEMBL29233312 1.00 ESR2 (0.54) ESR2GHSRESR1
SCHEMBL7511979 0.90 ESR2 (0.54) ESR2GHSRESR1
SCHEMBL8224318 0.89 GHSR (0.54) ESR2GHSR
SCHEMBL14863068 0.88 ESR2 (0.52) ESR2GHSRESR1
SCHEMBL3056292 0.88 ESR2 (0.52) ESR2GHSRESR1
SCHEMBL3075924 0.88 ESR2 (0.52) ESR2GHSRESR1
SCHEMBL25895785 0.88 GHSR (0.48) GHSR
SCHEMBL15568922 0.87 GHSR (0.52) GHSR
SCHEMBL1519350 0.86 GHSR (0.59) GHSR
SCHEMBL2081445 0.85 ESR2 (0.49) ESR2GHSRESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3773555-A1 FACTOR XIIA INHIBITORS University of Leeds (GB) 2021-02-17 EP disclosed
WO-2019186164-A1 FACTOR XIIA INHIBITORS UNIVERSITY OF LEEDS (GB) 2019-10-03 WO disclosed
US-20180319812-A1 HETEROCYCLIC COMPOUND ACTION MEDICAL TECHNOLOGIES, LLC 2018-11-08 US disclosed
US-10053468-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-08-21 US disclosed
US-20170050974-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-02-23 US disclosed
EP-3018126-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-05-11 EP disclosed
EP-1951675-B1 TETRAHYDROISOQUINOLINE AS LXR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2013-03-20 EP disclosed
EP-1951675-B1 TETRAHYDROISOQUINOLINE AS LXR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2013-03-20 EP disclosed
US-7790745-B2 Tetrahydroisoquinoline LXR Modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-07 US disclosed
US-7790745-B2 Tetrahydroisoquinoline LXR Modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-07 US disclosed
EP-1951675-A1 TETRAHYDROISOQUINOLINE AS LXR MODULATORS Brystol-Myers Squibb Company (US) 2008-08-06 EP disclosed
WO-2007047991-A1 TETRAHYDROISOQUINOLINE AS LXR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-26 WO disclosed
WO-2007047991-A1 TETRAHYDROISOQUINOLINE AS LXR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-26 WO disclosed
US-20070093523-A1 Tetrahydroisoquinoline LXR modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 US disclosed
US-20070093523-A1 Tetrahydroisoquinoline LXR modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 US disclosed
US-20070093523-A1 Tetrahydroisoquinoline LXR modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 US disclosed
US-6984648-B2 Cyclic β-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-α BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-01-10 US disclosed
US-20040162426-A1 Cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha LU ZHONGHUI (US) 2004-08-19 US disclosed
US-6743807-B2 TREATMENT OF RHEUMATOID AND OSTEOARTHRITIS, CORNEAL, EPIDERMAL OR GASTRIC ULCERATION, TUMOR METASTASIS OR INVASION, PERIODONTAL DISEASE AND BONE DISEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-06-01 US disclosed
US-20020016336-A1 Cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-02-07 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 (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-20020016336-A1 Cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha RNPEP, TNF, ANPEP ESR2 1107/4885GHSR 1291/4885ESR1 3918/4885
US-10053468-B2 Heterocyclic compound RORC, RORB, RORA ESR2 248/4885GHSR 675/4885ESR1 656/4885
US-20170050974-A1 HETEROCYCLIC COMPOUND RORC, RORB, RORA ESR2 248/4885GHSR 675/4885ESR1 656/4885
US-20180319812-A1 HETEROCYCLIC COMPOUND RORC, RORB, RORA ESR2 248/4885GHSR 675/4885ESR1 656/4885
US-20070093523-A1 Tetrahydroisoquinoline LXR modulators NR1H2, NR1H3, NR1I2 ESR2 41/4885GHSR 351/4885ESR1 61/4885
US-20040162426-A1 Cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha RNPEP, TNF, ANPEP ESR2 1107/4885GHSR 1291/4885ESR1 3918/4885

“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.