SCHEMBL3531393

SCHEMBL3531393

COc1c(F)ccc2c1C1(CCCCC1)CC(O)(C(F)(F)F)C2Nc1cc(F)cc2nc(C)ncc12

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 6/20 0.66
TRPC5 Q9UL62 2/20 0.35
HRH2 P25021 1/20 0.35
PGR P06401 4/20 0.34
AR P10275 2/20 0.33
TRPA1 O75762 3/20 0.31
ESR1 P03372 1/20 0.30
HTR2A P28223 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL3531396 1.00 NR3C1 (0.66) NR3C1TRPC5HRH2PGRAR
SCHEMBL3537947 0.92 NR3C1 (0.60) NR3C1TRPC5HRH2PGRTRPA1
SCHEMBL3540395 0.90 NR3C1 (0.79) NR3C1TRPC5HRH2PGRAR
SCHEMBL3540394 0.90 NR3C1 (0.79) NR3C1TRPC5HRH2PGRAR
SCHEMBL3532771 0.87 NR3C1 (0.48) NR3C1TRPC5HRH2PGRAR
SCHEMBL3532773 0.87 NR3C1 (0.48) NR3C1TRPC5HRH2PGRAR
SCHEMBL3535614 0.86 NR3C1 (0.55) NR3C1TRPC5HRH2PGRAR
SCHEMBL3535613 0.86 NR3C1 (0.55) NR3C1TRPC5HRH2PGRAR
SCHEMBL3539165 0.86 NR3C1 (0.83) NR3C1PGRAR
SCHEMBL3539162 0.86 NR3C1 (0.83) NR3C1PGRAR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7662821-B2 improved selectivity and pharmacokinetic properties; 6-Fluoro-1-[(1 H-indazol-4-yl)amino]-4,4-dimethyl-2-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene-2,5-diol; cyclization of imines BAYER SCHERING PHARMA AG (DE) 2010-02-16 US claimed
US-7638515-B2 improved selectivity and pharmacokinetic properties; 6-Fluoro-1-[(1 H-indazol-4-yl)amino]-4,4-dimethyl-2-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene-2,5-diol; cyclization of imines BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-12-29 US claimed
US-7662821-B2 improved selectivity and pharmacokinetic properties; 6-Fluoro-1-[(1 H-indazol-4-yl)amino]-4,4-dimethyl-2-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene-2,5-diol; cyclization of imines BAYER SCHERING PHARMA AG (DE) 2010-02-16 US disclosed
US-7659297-B2 improved selectivity and pharmacokinetic properties; 6-Fluoro-1-[(1 H-indazol-4-yl)amino]-4,4-dimethyl-2-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene-2,5-diol; cyclization of imines Bayer Schering Pharma, AG (DE) 2010-02-09 US disclosed
US-20050272823-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-12-08 US disclosed
US-20050171109-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-08-04 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 (2 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-20050171109-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents TNF, DHPS, PTGES NR3C1 1387/4885TRPC5 1869/4885HRH2 282/4885
US-20050272823-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents DHPS, TNF, PTGES NR3C1 1000/4885TRPC5 1924/4885HRH2 312/4885

“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.