SCHEMBL5280871

SCHEMBL5280871

CC1(C)Cc2cc(Cl)ccc2C(Nc2cccc3c2CC(=O)N3)C(O)(C(F)(F)F)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 6/20 0.42
PGR P06401 4/20 0.42
AR P10275 2/20 0.42
DHPS P49366 1/20 0.37
AHR P35869 2/20 0.35
CMA1 P23946 1/20 0.35
WDR91 A4D1P6 1/20 0.35
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
CCNB2 O95067 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
GSK3B P49841 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
CCNB3 Q8WWL7 1/20 0.32
TRPV1 Q8NER1 2/20 0.32
RIPK1 Q13546 1/20 0.32
HTT P42858 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL5925987 0.83 NR3C1 (0.42) NR3C1PGRARDHPSCCNB2
SCHEMBL5282672 0.79 NR3C1 (0.46) NR3C1PGRARTRPV1
SCHEMBL3534425 0.78 NR3C1 (0.44) NR3C1PGRARDHPSWDR91
SCHEMBL332171 0.77 NR3C1 (0.49) NR3C1PGRARDHPSWDR91
SCHEMBL3537534 0.76 NR3C1 (0.40) NR3C1PGRARDHPSMEN1
SCHEMBL331514 0.75 NR3C1 (0.41) NR3C1PGRARDHPS
SCHEMBL3536128 0.75 NR3C1 (0.46) NR3C1PGRARDHPSCCNB2
SCHEMBL3533451 0.73 NR3C1 (0.52) NR3C1PGRARDHPS
SCHEMBL332071 0.73 NR3C1 (0.50) NR3C1PGRARDHPSBRD4
SCHEMBL1713909 0.73 NR3C1 (0.48) NR3C1PGRARDHPSWDR91

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.