SCHEMBL15401377

SCHEMBL15401377

O=C(O)N1CCCC(O)(c2cccc(Br)n2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
GNE Q9Y223 1/20 0.35
LMNA P02545 1/20 0.34
FAAH O00519 1/20 0.34
PKLR P30613 3/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
HTR1A P08908 1/20 0.33
HTR2A P28223 1/20 0.33
HTR7 P34969 1/20 0.33
DGAT2 Q96PD7 1/20 0.33
HSD11B1 P28845 2/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HPGD P15428 1/20 0.32
CCR1 P32246 1/20 0.32
ACE2 Q9BYF1 1/20 0.31
CA12 O43570 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
SCHEMBL444439 0.95 ALDH1A1 (0.36) ALDH1A1LMNAFAAHPKLROPRM1
SCHEMBL15401125 0.82 USP30 (0.40) OPRD1OPRK1MEN1KMT2A
SCHEMBL30206827 0.80 HTR1A (0.42) ALDH1A1OPRM1OPRD1OPRK1OPRL1
SCHEMBL1813909 0.80 HTR1A (0.42) ALDH1A1OPRM1OPRD1OPRK1OPRL1
SCHEMBL23089089 0.80 FAAH (0.36) ALDH1A1GNEFAAHOPRM1HPGD
SCHEMBL23089219 0.77 FAAH (0.37) ALDH1A1GNEFAAHPKLROPRM1
SCHEMBL23089175 0.76 CA12 (0.39) FAAHOPRM1OPRD1OPRL1HTR7
SCHEMBL31691821 0.76 HTR1A (0.38) ALDH1A1OPRM1OPRD1OPRK1OPRL1
SCHEMBL443155 0.76 CYP11B2 (0.42) OPRD1OPRK1
SCHEMBL30149275 0.76 CYP11B2 (0.42) OPRD1OPRK1

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-2867232-B1 5-AZAINDAZOLE COMPOUNDS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2018-08-08 EP disclosed
US-9434725-B2 5-azaindazole compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2016-09-06 US disclosed
EP-2867232-A1 5-AZAINDAZOLE COMPOUNDS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2015-05-06 EP disclosed
WO-2014001377-A1 5-AZAINDAZOLE COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2014-01-03 WO disclosed
US-20140005168-A1 5-AZAINDAZOLE COMPOUNDS AND METHODS OF USE GENENTECH,INC. 2014-01-02 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 (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-20140005168-A1 5-AZAINDAZOLE COMPOUNDS AND METHODS OF USE PIM1, PIM3, PIM2 ALDH1A1 776/4885GNE 3170/4885LMNA 1439/4885

“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.