SCHEMBL925047

SCHEMBL925047

O=C(O)c1cc(-c2cccc(F)c2)c(=O)n2c1CCC2

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.47
PDE3A Q14432 3/20 0.47
GPR35 Q9HC97 2/20 0.42
KMT2A Q03164 2/20 0.41
DCLRE1B Q9H816 1/20 0.40
FABP3 P05413 1/20 0.39
TP53 P04637 2/20 0.38
FABP4 P15090 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
GAA P10253 1/20 0.37
THRB P10828 1/20 0.37
NR4A1 P22736 1/20 0.36
NR4A2 P43354 1/20 0.36
NR4A3 Q92570 1/20 0.36
RORC P51449 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
RXFP1 Q9HBX9 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
SCHEMBL924628 0.80 PDE3B (0.42) PDE3BPDE3AGPR35KMT2AFABP3
SCHEMBL4723904 0.78 PDE3B (0.40) PDE3BPDE3AKMT2ARORC
SCHEMBL9334663 0.74 GPR35 (0.37) GPR35KMT2ADCLRE1BHRH3KDM4E
SCHEMBL924441 0.73 KDM4E (0.45) PDE3BPDE3AKDM4E
SCHEMBL20939866 0.70 PDE3B (0.41) PDE3BPDE3AKMT2AGAAKDM4E
SCHEMBL31397801 0.68 HTT (0.59) GPR35DCLRE1BNR4A1NR4A2NR4A3
SCHEMBL269851 0.68 HTT (0.59) GPR35DCLRE1BNR4A1NR4A2NR4A3
SCHEMBL17797037 0.68 DCLRE1B (0.56) GPR35KMT2ADCLRE1BNR4A1NR4A2
SCHEMBL17796982 0.68 DCLRE1B (0.53) GPR35KMT2ADCLRE1BFABP3FABP4
SCHEMBL31585756 0.68 DCLRE1B (0.53) GPR35KMT2ADCLRE1BFABP3FABP4

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 480/4885GPR35 865/4885
US-20070185103-A1 Beta-secretase modulators and methods of use BACE1, BACE2, APP PDE3B 304/4885PDE3A 480/4885GPR35 865/4885

“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.