SCHEMBL3106476

SCHEMBL3106476

Cc1cc(Cl)ccc1OB(O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
SCN4A P35499 2/20 0.44
ORAI1 Q96D31 1/20 0.42
ORAI2 Q96SN7 1/20 0.42
ORAI3 Q9BRQ5 1/20 0.42
TRPV6 Q9H1D0 1/20 0.42
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
MRGPRX4 Q96LA9 2/20 0.41
ANO1 Q5XXA6 1/20 0.40
MAPT P10636 4/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL969625 0.79 ENPP2 (0.39) TSHRSCN4AORAI1ORAI2ORAI3
SCHEMBL4489583 0.79 TSHR (0.49) TSHRHTR2AHTR2CHTR2BSCN4A
SCHEMBL30594439 0.79 TSHR (0.49) TSHRHTR2AHTR2CHTR2BSCN4A
SCHEMBL5389609 0.79 TSHR (0.43) TSHRORAI1ORAI2ORAI3TRPV6
SCHEMBL12538829 0.71 SLC6A2 (0.41) ORAI1ORAI2ORAI3TRPV6SLC6A2
SCHEMBL29116273 0.71 DRD2 (0.43) HTR2AORAI1ORAI2ORAI3TRPV6
SCHEMBL12538886 0.70 ORAI1 (0.38) SCN4AORAI1ORAI2ORAI3TRPV6
SCHEMBL13749562 0.70 CYP1A2 (0.62) SCN4ASLC6A2SLC6A4SLC6A3MAPT
SCHEMBL12538863 0.70 PCSK9 (0.38) ORAI1ORAI2ORAI3TRPV6SLC6A2
SCHEMBL807773 0.68 SLC6A2 (0.59) TSHRHTR2AHTR2CHTR2BSLC6A2

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
EP-2210876-B1 HETEROCYCLIC COMPOUND AS GLUCAGON ANTAGONIST TAKEDA PHARMACEUTICAL (JP) 2015-05-20 EP disclosed
US-8309580-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-13 US disclosed
US-20100256156-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-07 US disclosed
EP-2210876-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-07-28 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-20100256156-A1 HETEROCYCLIC COMPOUND GLP1R, GPR119, GCGR TSHR 60/4885HTR2A 1881/4885HTR2C 1145/4885

“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.