SCHEMBL5282672

SCHEMBL5282672

CC1(C)Cc2cc(Cl)ccc2C(Nc2cccc3[nH]ncc23)C(O)(C(F)(F)F)C1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 4/20 0.46
PGR P06401 2/20 0.46
AR P10275 2/20 0.46
TRPV1 Q8NER1 13/20 0.46
CLK4 Q9HAZ1 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
TRPV4 Q9HBA0 1/20 0.36

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
SCHEMBL3534396 0.86 NR3C1 (0.50) NR3C1PGRARTRPV1CLK4
SCHEMBL5399477 0.82 NR3C1 (0.45) NR3C1PGRARTRPV1
SCHEMBL3531930 0.81 NR3C1 (0.51) NR3C1PGRARTRPV1CLK4
SCHEMBL3533919 0.80 NR3C1 (0.70) NR3C1PGRARTRPV1
SCHEMBL4572881 0.79 NR3C1 (0.57) NR3C1PGRARTRPV1
SCHEMBL4572886 0.79 NR3C1 (0.57) NR3C1PGRARTRPV1
SCHEMBL3531489 0.79 NR3C1 (0.57) NR3C1PGRARTRPV1
SCHEMBL3534910 0.79 NR3C1 (0.49) NR3C1PGRARTRPV1
SCHEMBL5280871 0.79 NR3C1 (0.42) NR3C1PGRARTRPV1
SCHEMBL332322 0.78 NR3C1 (0.54) NR3C1PGRARTRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863765-A1 6, 7, 8, 9-TETRAHYDRO-5-AMINO-5H-BENZOCYCLOHEPTEN-6-OL DERIVATIVES AND RELATED COMPOUNDS USED AS ANTI-INFLAMMATORY AGENTS Bayer Schering Pharma Aktiengesellschaft (DE) 2007-12-12 EP disclosed
US-20060247292-A1 Benzocycloheptene derivatives, process for their production and their use as anti-inflammatory agents SCHERING AKTIENGESELLSCHAFT (DE) 2006-11-02 US disclosed
WO-2006100099-A1 6, 7, 8, 9-TETRAHYDRO-5-AMINO-5H-BENZOCYCLOHEPTEN-6-OL DERIVATIVES AND RELATED COMPOUNDS USED AS ANTI-INFLAMMATORY AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-09-28 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 (1 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-20060247292-A1 Benzocycloheptene derivatives, process for their production and their use as anti-inflammatory agents TNF, NFKBIA, PTGES NR3C1 294/4885PGR 874/4885AR 2183/4885

“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.