SCHEMBL4163210

SCHEMBL4163210

CC(C)(C)OC(=O)N1CCCC1CNC1CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.51
HTR1A P08908 1/20 0.51
ADRA2A P08913 1/20 0.51
DRD2 P14416 1/20 0.51
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51
SLC6A2 P23975 1/20 0.51
HRH2 P25021 1/20 0.51
HTR1D P28221 1/20 0.51
HTR1B P28222 1/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
HTR7 P34969 1/20 0.51
DRD3 P35462 1/20 0.51
OPRK1 P41145 1/20 0.51
HTR2B P41595 1/20 0.51
PSEN1 P49768 1/20 0.51
SLC6A3 Q01959 1/20 0.51
TMEM97 Q5BJF2 1/20 0.51
SIGMAR1 Q99720 1/20 0.51

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
SCHEMBL3251277 1.00 APP (0.51) APPHTR1AADRA2ADRD2ADRA2B
SCHEMBL3251047 1.00 APP (0.51) APPHTR1AADRA2ADRD2ADRA2B
SCHEMBL15014584 0.95 APP (0.48) APPHTR1AADRA2ADRD2ADRA2B
SCHEMBL12519916 0.94 KDM1A (0.50) APPHTR1AADRA2ADRD2ADRA2B
SCHEMBL4880675 0.92 KDM1A (0.48) APPHTR1AADRA2ADRD2ADRA2B
SCHEMBL12384662 0.91 APP (0.46) APPHTR1AADRA2ADRD2ADRA2B
SCHEMBL30605466 0.91 KDM1A (0.43) APPHTR1AADRA2ADRD2ADRA2B
SCHEMBL12385838 0.91 KDM1A (0.50) APPHTR1AADRA2ADRD2ADRA2B
SCHEMBL12384660 0.90 KDM1A (0.49) APPHTR1AADRA2ADRD2ADRA2B
SCHEMBL12385981 0.88 KDM1A (0.48) APPHTR1AADRA2ADRD2ADRA2B

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-8426437-B2 Pyrroloquinoline derivatives and their use as protein kinases inhibitors PIERRE FABRE MEDICAMENT (FR) 2013-04-23 US disclosed
US-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors PIERRE FABRE MEDICAMENT (FR) 2009-02-12 US disclosed
EP-1899335-A1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2008-03-19 EP disclosed
WO-2007003611-A1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2007-01-11 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-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors MAP3K1, MAP3K2, MAP3K7 APP 1369/4885HTR1A 4294/4885ADRA2A 4143/4885

“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.