SCHEMBL924628

SCHEMBL924628

O=C(O)c1cc(-c2ccccc2F)c(=O)n2c1CCC2

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.42
PDE3A Q14432 4/20 0.42
ACMSD Q8TDX5 1/20 0.41
GPR35 Q9HC97 2/20 0.40
RORC P51449 3/20 0.40
PPARG P37231 2/20 0.38
KDM4E B2RXH2 2/20 0.38
KMT2A Q03164 2/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA3 P34903 1/20 0.38
DHODH Q02127 1/20 0.37
FABP3 P05413 1/20 0.37
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 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
SCHEMBL925047 0.80 PDE3B (0.47) PDE3BPDE3AGPR35RORCKDM4E
SCHEMBL924441 0.78 KDM4E (0.45) PDE3BPDE3AKDM4EDHODHALDH1A1
SCHEMBL27277534 0.72 ALDH1A1 (0.38) ACMSDGPR35KDM4EKMT2AGABRA1
SCHEMBL20939866 0.72 PDE3B (0.41) PDE3BPDE3AKDM4EKMT2AALDH1A1
SCHEMBL269331 0.67 NPC1 (0.60) ACMSDGPR35KDM4EKMT2ADHODH
SCHEMBL2313544 0.65 TTR (0.51) ACMSDGPR35KDM4EKMT2A
SCHEMBL2522496 0.65 CSNK1D (0.47) RORCPPARGKDM4EKMT2A
SCHEMBL31585927 0.64 ACMSD (0.53) ACMSDGPR35KDM4EKMT2AALDH1A1
SCHEMBL20601776 0.64 ACMSD (0.53) ACMSDGPR35KDM4EKMT2AALDH1A1
SCHEMBL17800165 0.64 KCNK3 (0.46)

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-8163766-B2 Beta-secretase modulators and methods of use AMGEN INC. (US) 2012-04-24 US disclosed
US-20110118250-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-05-19 US disclosed
US-7872009-B2 Beta-Secretase modulators and methods of use AMGEN INC. (US) 2011-01-18 US disclosed
US-20070185103-A1 Beta-secretase modulators and methods of use AMGEN INC. 2007-08-09 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-20110118250-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP PDE3B 304/4885PDE3A 480/4885ACMSD 4580/4885
US-20070185103-A1 Beta-secretase modulators and methods of use BACE1, BACE2, APP PDE3B 304/4885PDE3A 480/4885ACMSD 4580/4885

“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.