SCHEMBL3906480

SCHEMBL3906480

CC(C)(C)OC(=O)N1CCc2ccc(OCS(=O)(=O)c3ccc(OCc4cccc(F)c4)cc3)cc2C1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.46
ESR2 Q92731 1/20 0.45
MMP1 P03956 4/20 0.42
GHSR Q92847 4/20 0.42
ADAM17 P78536 3/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP14 P50281 1/20 0.42
MAOB P27338 3/20 0.42
MAOA P21397 2/20 0.41
GCK P35557 1/20 0.41
ADAMTS4 O75173 1/20 0.41
MMP13 P45452 1/20 0.41

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
SCHEMBL30198978 0.91 NR1H2 (0.54) NR1H2ESR2GHSRMAOBMAOA
SCHEMBL30199514 0.91 NR1H2 (0.54) NR1H2ESR2GHSRMAOBMAOA
SCHEMBL29097840 0.91 NR1H2 (0.54) NR1H2ESR2GHSRMAOBMAOA
SCHEMBL5049891 0.86 HRH3 (0.49) ESR2GHSRMAOBMAOA
SCHEMBL4887148 0.83 KMT2A (0.43) NR1H2ESR2MMP1ADAM17MMP2
SCHEMBL30200125 0.81 NR1H2 (0.57) NR1H2ESR2GHSRMAOBMAOA
SCHEMBL29098082 0.81 NR1H2 (0.57) NR1H2ESR2GHSRMAOBMAOA
SCHEMBL30199590 0.81 NR1H2 (0.60) NR1H2ESR2GHSR
SCHEMBL29098066 0.81 NR1H2 (0.53) NR1H2ESR2GHSRMAOB
SCHEMBL30199457 0.81 NR1H2 (0.53) NR1H2ESR2GHSRMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504392-B2 2,3,4,5-tetrahydro-1H-3-benzazepines and their medical use GLAXO GROUP LIMITED (GB) 2009-03-17 US disclosed
US-20050261279-A1 Compounds GLAXO GROUP LIMITED (GB) 2005-11-24 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 (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-20050261279-A1 Compounds CBR1, CBR3, OXER1 NR1H2 72/4885ESR2 54/4885MMP1 3362/4885

“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.