SCHEMBL4452204

SCHEMBL4452204

CC(C)CCC(N)c1cc(F)cc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 7/20 0.36
SCN10A Q9Y5Y9 1/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
DPP4 P27487 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31

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
SCHEMBL4530311 0.82 CES2 (0.32) SCN10ADPP4CES2CES1
SCHEMBL172564 0.81 GBA1 (0.34) GBA1IDO1TDO2CES2CES1
SCHEMBL13995183 0.81 GBA1 (0.36) GBA1IDO1TDO2HTR2AHTR2C
SCHEMBL22694855 0.80 HRH1 (0.34) GBA1IDO1TDO2DPP4CES2
SCHEMBL1729210 0.78 CA2 (0.45) GBA1
SCHEMBL1729000 0.78 CA2 (0.45) GBA1
SCHEMBL7939350 0.77 CES2 (0.35) GBA1IDO1TDO2CES2CES1
SCHEMBL1727640 0.76 SLC6A4 (0.42) GBA1IDO1TDO2CES2CES1
SCHEMBL1727838 0.76 SLC6A4 (0.42) GBA1IDO1TDO2CES2CES1
SCHEMBL12261531 0.76 SLC6A4 (0.42) GBA1IDO1TDO2CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2212277-B1 AMINE LINKED MODULATORS OF Y-SECRETASE JANSSEN PHARMACEUTICA NV (BE) 2016-08-31 EP disclosed
EP-2212277-B1 AMINE LINKED MODULATORS OF Y-SECRETASE JANSSEN PHARMACEUTICA NV (BE) 2016-08-31 EP disclosed
US-8247610-B2 Amine linked modulators of γ-secretase JANSSEN PHARMACEUTICA N.V. (BE) 2012-08-21 US disclosed
US-8247610-B2 Amine linked modulators of γ-secretase JANSSEN PHARMACEUTICA N.V. (BE) 2012-08-21 US disclosed
US-8247610-B2 Amine linked modulators of γ-secretase JANSSEN PHARMACEUTICA N.V. (BE) 2012-08-21 US disclosed
US-20090306392-A1 GSM INTERMEDIATES JANSSEN PHARMACEUTICA N.V. (BE) 2009-12-10 US disclosed
US-20090306392-A1 GSM INTERMEDIATES JANSSEN PHARMACEUTICA N.V. (BE) 2009-12-10 US disclosed
US-20090306392-A1 GSM INTERMEDIATES JANSSEN PHARMACEUTICA N.V. (BE) 2009-12-10 US disclosed
WO-2009052341-A1 GSM INTERMEDIATES JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-23 WO disclosed
US-20090105300-A1 AMINE LINKED MODULATORS OF y-SECRETASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-23 US disclosed
US-20090105300-A1 AMINE LINKED MODULATORS OF y-SECRETASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-23 US disclosed
US-20090105300-A1 AMINE LINKED MODULATORS OF y-SECRETASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-23 US disclosed
WO-2009052350-A1 AMINE LINKED MODULATORS OF Y-SECRETASE JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-23 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 (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-20090306392-A1 GSM INTERMEDIATES BACE1, GSAP, PSEN1 GBA1 20/4885SCN10A 1801/4885IDO1 4428/4885
US-20090105300-A1 AMINE LINKED MODULATORS OF y-SECRETASE BACE1, BACE2, APP GBA1 90/4885SCN10A 1661/4885IDO1 1711/4885

“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.