SCHEMBL13162802

SCHEMBL13162802

CC1OC(c2coc(N3CCC(Oc4ccccn4)CC3)n2)O1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RET P07949 5/20 0.41
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
PDE10A Q9Y233 1/20 0.40
SCN9A Q15858 1/20 0.38
EPHX2 P34913 1/20 0.37
AVPR1A P37288 1/20 0.35
SCD O00767 1/20 0.34
NAAA Q02083 1/20 0.34
KDM5A P29375 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
ACACB O00763 1/20 0.33

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
SCHEMBL13638965 0.94 PDE3B (0.45) RETPDE3BPDE3APDE10ASCN9A
SCHEMBL13162326 0.87 OGA (0.34) EPHX2SCD
SCHEMBL13162320 0.86 NAAA (0.43) RETEPHX2NAAA
SCHEMBL13638868 0.81 DPP4 (0.38) RETPDE3BPDE3APDE10AHRH3
SCHEMBL13638796 0.81 CYP11B2 (0.32) ACACB
SCHEMBL13163989 0.80 CHRM4 (0.34) SCDACACB
SCHEMBL13634245 0.79 PDE3B (0.41) RETPDE3BPDE3APDE10ASCN9A
SCHEMBL13162330 0.78 HRH3 (0.42) HRH3
SCHEMBL13163111 0.76 EPHX2 (0.47) RETPDE3BPDE3APDE10ASCN9A
SCHEMBL13162784 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-30 US disclosed
EP-2206707-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2010-07-14 EP 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-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF TRPV1, FGFR3, GPR17 RET 13/4885PDE3B 882/4885PDE3A 695/4885

“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.