SCHEMBL5447343

SCHEMBL5447343

CN1CCN(C(=O)c2ccc3c(C4CCCCC4)c(-c4ccccc4)n(CC(=O)N4CCOCC4)c3c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.44
SCN9A Q15858 1/20 0.41
CNR2 P34972 3/20 0.41
POLB P06746 1/20 0.41
GRIN2B Q13224 1/20 0.40
FASN P49327 2/20 0.39
BRD4 O60885 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
PTGS2 P35354 2/20 0.38
PIK3CD O00329 1/20 0.38
PIK3R2 O00459 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
PIK3R5 Q8WYR1 1/20 0.38
PIK3R3 Q92569 1/20 0.38
CNR1 P21554 1/20 0.38
EGFR P00533 2/20 0.38

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
SCHEMBL2909117 0.89 PRKCA (0.44) SCN9APOLBMAPTPTGS2EGFR
SCHEMBL5439046 0.89 PRKCA (0.44) NR1I2SCN9AGRIN2BBRD4ALDH1A1
SCHEMBL5198409 0.87 GRIN2B (0.43) NR1I2SCN9AGRIN2BBRD4ALDH1A1
SCHEMBL5433936 0.87 POLB (0.42) NR1I2SCN9APOLBGRIN2BBRD4
SCHEMBL5438703 0.87 NR1I2 (0.45) NR1I2SCN9AGRIN2BBRD4ALDH1A1
SCHEMBL5439362 0.87 NR1I2 (0.47) NR1I2SCN9AGRIN2BBRD4ALDH1A1
SCHEMBL5441855 0.86 SCN9A (0.41) NR1I2SCN9AMAPTPTGS2EGFR
SCHEMBL5439071 0.85 NR1I2 (0.46) NR1I2SCN9APOLBGRIN2BALDH1A1
SCHEMBL5435116 0.85 PTGER4 (0.40) NR1I2SCN9ACNR2GRIN2BHRH3
Trifluoroacetic Acid SCHEMBL5436676 0.84 PRKCA (0.42) SCN9APOLBGRIN2BMAPTPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070167447-A1 Indole acetamides as inhibitors of the hepatitis c virus ns5b polymerase ISTITUTO DI RICERCHE DI BIOLOGIA DI MOLECULOARE P. ANGELETTI SPA (IT) 2007-07-19 US claimed
US-20070167447-A1 Indole acetamides as inhibitors of the hepatitis c virus ns5b polymerase ISTITUTO DI RICERCHE DI BIOLOGIA DI MOLECULOARE P. ANGELETTI SPA (IT) 2007-07-19 US disclosed
US-20070167447-A1 Indole acetamides as inhibitors of the hepatitis c virus ns5b polymerase ISTITUTO DI RICERCHE DI BIOLOGIA DI MOLECULOARE P. ANGELETTI SPA (IT) 2007-07-19 US disclosed
US-20070167447-A1 Indole acetamides as inhibitors of the hepatitis c virus ns5b polymerase ISTITUTO DI RICERCHE DI BIOLOGIA DI MOLECULOARE P. ANGELETTI SPA (IT) 2007-07-19 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-20070167447-A1 Indole acetamides as inhibitors of the hepatitis c virus ns5b polymerase IDO1, NAT1, AANAT NR1I2 42/4885SCN9A 2221/4885CNR2 303/4885

“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.