SCHEMBL13628965

SCHEMBL13628965

OCCc1ncc2c(n1)CCCC2O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.39
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NR3C1 P04150 1/20 0.32
ACHE P22303 1/20 0.32
KCNH2 Q12809 1/20 0.32
UGT2B17 O75795 2/20 0.32
CYP3A4 P08684 1/20 0.32
AURKA O14965 1/20 0.31
DAPK3 O43293 1/20 0.31
PRKD3 O94806 1/20 0.31
MAP4K4 O95819 1/20 0.31
CSF1R P07333 1/20 0.31
RET P07949 1/20 0.31
PDGFRB P09619 1/20 0.31
FGFR1 P11362 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
SCHEMBL3532335 0.83 CYP11B1 (0.32) CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL14072092 0.83 CYP11B1 (0.32) CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL13950219 0.83 CYP1A2 (0.31) CYP1A2CYP3A4
SCHEMBL13628964 0.76
SCHEMBL29649380 0.76 GRM5 (0.41) GRM5CYP1A2CYP2C9TSHRALDH1A1
SCHEMBL3535876 0.73 GRM5 (0.37) GRM5CYP1A2CYP2C9TSHRALDH1A1
SCHEMBL13499978 0.73 GRM5 (0.37) GRM5CYP1A2CYP2C9TSHRALDH1A1
SCHEMBL13628963 0.69 GRM5 (0.44) GRM5TSHRALDH1A1
SCHEMBL29649344 0.68 CYP11B1 (0.38) GRM5CYP11B1CYP11B2CYP1A2CYP2C9
SCHEMBL13499982 0.65 CYP1A2 (0.36) CYP1A2CYP3A4

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-7612060-B2 Triazoles and methods of use AMGEN INC. (US) 2009-11-03 US disclosed
US-20090054460-A1 Piperazine derivatives and methods of use CHEN JIAN J 2009-02-26 US disclosed
US-20090048224-A1 COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2009-02-19 US disclosed
US-7425631-B2 Compounds and methods of use AMGEN INC. (US) 2008-09-16 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-20090048224-A1 COMPOUNDS AND METHODS OF USE LTC4S, PTGES, LTB4R2 GRM5 1126/4885CYP11B1 36/4885CYP11B2 22/4885
US-20090054460-A1 Piperazine derivatives and methods of use PTGES, PTGES2, PTGIS GRM5 417/4885CYP11B1 193/4885CYP11B2 118/4885

“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.