SCHEMBL3551797

SCHEMBL3551797

COC(=O)c1cccc(-c2ccccn2)c1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.52
SLC6A4 P31645 3/20 0.52
GRM5 P41594 1/20 0.50
ALDH1A1 P00352 2/20 0.46
AXL P30530 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 2/20 0.44
POLB P06746 1/20 0.44
ATM Q13315 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA3 P34903 1/20 0.44
SLC6A2 P23975 1/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
MAPK10 P53779 1/20 0.43
PTK2B Q14289 1/20 0.43

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
SCHEMBL5234641 0.86 SLC6A3 (0.55) SLC6A3SLC6A4GRM5ALDH1A1AXL
SCHEMBL29694130 0.86 SLC6A3 (0.55) SLC6A3SLC6A4GRM5ALDH1A1AXL
SCHEMBL28677127 0.83 KDM4E (0.47) SLC6A3SLC6A4GRM5ALDH1A1KDM4E
SCHEMBL3555744 0.82 NAPRT (0.50) GRM5ALDH1A1TDP1KDM4EKMT2A
SCHEMBL19923176 0.81 SLC6A3 (0.59) SLC6A3SLC6A4ALDH1A1KDM4EPOLB
SCHEMBL30956563 0.79 KMO (0.48) SLC6A3SLC6A4ALDH1A1KDM4EPOLB
SCHEMBL13824012 0.77 SLC6A3 (0.64) SLC6A3SLC6A4ALDH1A1KDM4EPOLB
SCHEMBL28199188 0.77 GRM5 (0.50) SLC6A3SLC6A4GRM5ALDH1A1AXL
SCHEMBL27568450 0.77 TDP1 (0.51) SLC6A3GRM5ALDH1A1AXLTDP1
SCHEMBL29664560 0.76 TDP1 (0.54) GRM5ALDH1A1AXLTDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963312-B1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC (US) 2014-07-02 EP disclosed
US-7838676-B2 Beta-secretase modulators and methods of use AMGEN INC. (US) 2010-11-23 US disclosed
EP-1963312-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2008-09-03 EP disclosed
US-20070173521-A1 Beta-secretase modulators and methods of use AMGEN INC. 2007-07-26 US disclosed
WO-2007061930-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2007-05-31 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-20070173521-A1 Beta-secretase modulators and methods of use BACE1, BACE2, APP SLC6A3 4711/4885SLC6A4 4720/4885GRM5 1069/4885

“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.