SCHEMBL2264753

SCHEMBL2264753

CC(C)(C)OC(=O)N1CCC[C@H]1COc1cc(F)cc(F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.49
FEN1 P39748 1/20 0.49
GPR119 Q8TDV5 2/20 0.44
F2RL3 Q96RI0 2/20 0.43
APP P05067 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
DRD2 P14416 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
SLC6A2 P23975 1/20 0.42
HRH2 P25021 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR7 P34969 1/20 0.42
DRD3 P35462 1/20 0.42
OPRK1 P41145 1/20 0.42
HTR2B P41595 1/20 0.42

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
SCHEMBL1654882 0.92 ALOX5AP (0.50) ALOX5APFEN1GPR119F2RL3
SCHEMBL4666689 0.89 ALOX5AP (0.51) ALOX5APFEN1CHRNB4CHRNA3
SCHEMBL9900728 0.89 ALOX5AP (0.51) ALOX5APFEN1CHRNB4CHRNA3
SCHEMBL9241908 0.89 ALOX5AP (0.51) ALOX5APFEN1CHRNB4CHRNA3
SCHEMBL4328668 0.86 ALOX5AP (0.50) ALOX5APFEN1GPR119
SCHEMBL4328662 0.86 ALOX5AP (0.50) ALOX5APFEN1GPR119
SCHEMBL9243394 0.85 ALOX5AP (0.51) ALOX5APFEN1GPR119APPHTR1A
SCHEMBL2201811 0.85 ALOX5AP (0.51) ALOX5APFEN1GPR119APPHTR1A
SCHEMBL9243387 0.85 ALOX5AP (0.51) ALOX5APFEN1GPR119APPHTR1A
SCHEMBL938053 0.83 ABHD6 (0.50) ALOX5APFEN1GPR119CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2367816-B1 ISATIN DERIVATIVES FOR USE AS IN VIVO IMAGING AGENTS IMP INNOVATIONS LTD (GB) 2016-11-09 EP disclosed
US-8961930-B2 Isatin derivatives for use as in vivo imaging agents IMPERIAL INNOVATIONS LIMITED (GB) 2015-02-24 US disclosed
EP-2367816-A1 ISATIN DERIVATIVES FOR USE AS IN VIVO IMAGING AGENTS Imperial Innovations Limited (GB) 2011-09-28 EP disclosed
US-20110195024-A1 ISATIN DERIVATIVES FOR USE AS IN VIVO IMAGING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2011-08-11 US disclosed
WO-2010026388-A1 ISATIN DERIVATIVES FOR USE AS IN VIVO IMAGING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2010-03-11 WO disclosed
US-5472958-A 2-((nitro)phenoxymethyl) heterocyclic compounds that enhance cognitive function ABBOTT LABORATORIES (US) 1995-12-05 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-20110195024-A1 ISATIN DERIVATIVES FOR USE AS IN VIVO IMAGING AGENTS CASP5, CASP3, CASP14 ALOX5AP 633/4885FEN1 2355/4885GPR119 863/4885

“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.