SCHEMBL762261

SCHEMBL762261

CC1(C)OB(c2ccc3c(ccn3CC(N)=O)c2)OC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 3/20 0.39
F2 P00734 2/20 0.39
PRSS1 P07477 2/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39
FAAH O00519 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
ROCK1 Q13464 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
NTSR1 P30989 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
SCHEMBL760438 0.90 IRAK4 (0.41) F11F2PRSS1PRSS2PRSS3
SCHEMBL20605103 0.89 KMT2A (0.48) F11F2PRSS1PRSS2PRSS3
SCHEMBL20604796 0.85 ATM (0.48) ROCK1NTSR1LIPGMAOAMAOB
SCHEMBL20604867 0.85 GRIN2B (0.40) MAOAMAOBKRAS
SCHEMBL14711087 0.83 ATM (0.38) ROCK1LIPGLPLPLA2G4AMAOA
SCHEMBL20604835 0.82 GRIN2B (0.41) F2ROCK1
SCHEMBL2383644 0.81 LPL (0.43) F11FAAHIRAK4LIPGLPL
SCHEMBL20604929 0.81 ROCK1 (0.41) F2ROCK1KRASKMT2A
SCHEMBL20604764 0.81 GRIN2B (0.45) F2ROCK1LMNAPLA2G4AKMT2A
SCHEMBL16322931 0.81 LPL (0.38) F11ROCK1IRAK4LIPGLPL

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
US-20120053345-A1 Indazole Compounds ABBOTT LABORATORIES (US) 2012-03-01 US disclosed
US-8008481-B2 Indazole compounds ABBVIE INC. 2011-08-30 US disclosed
US-20070282101-A1 Indazole compounds ABBVIE INC. 2007-12-06 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-20070282101-A1 Indazole compounds CYP3A43, CYP3A7, UGT1A1 F11 1993/4885F2 2314/4885PRSS1 2254/4885
US-20120053345-A1 Indazole Compounds CYP3A43, CYP3A7, UGT1A1 F11 1993/4885F2 2314/4885PRSS1 2254/4885

“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.