SCHEMBL2056010

SCHEMBL2056010

CCCC(CCC)c1ccc(Cl)c2nc(Oc3ccc(Cl)cc3Cl)n(C)c12

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 10/20 0.59
HSP90B1 P14625 2/20 0.39
HPGD P15428 2/20 0.36
HTT P42858 2/20 0.36
GAA P10253 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TTR P02766 1/20 0.34
ALDH1A1 P00352 1/20 0.34
S1PR4 O95977 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
SCHEMBL2055982 0.91 CRHR1 (0.70) CRHR1HSP90B1HPGDHTTGAA
SCHEMBL2056013 0.89 CRHR1 (0.52) CRHR1HSP90B1ALDH1A1S1PR4
SCHEMBL2056018 0.87 CRHR1 (0.73) CRHR1
SCHEMBL2056016 0.84 CRHR1 (0.58) CRHR1
SCHEMBL2056011 0.83 CRHR1 (0.84) CRHR1HPGDHTT
SCHEMBL2056012 0.83 CRHR1 (0.77) CRHR1HPGDHTT
SCHEMBL2056017 0.82 CRHR1 (0.63) CRHR1HSP90B1ALDH1A1
SCHEMBL2056008 0.80 CRHR1 (0.67) CRHR1
SCHEMBL3210837 0.79 CRHR1 (0.59) CRHR1HSP90B1
SCHEMBL2056014 0.79 CRHR1 (0.65) CRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163935-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-24 US disclosed
US-8163935-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-24 US disclosed
US-8163935-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-24 US disclosed
US-20090312383-A1 Fused Heterocyclic Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-17 US disclosed
US-20090312383-A1 Fused Heterocyclic Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-17 US disclosed
US-20090312383-A1 Fused Heterocyclic Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-17 US disclosed
EP-1874736-A4 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2008-08-20 EP disclosed
EP-1874736-A2 FUSED HETEROCYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2008-01-09 EP disclosed
WO-2006116412-A2 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-02 WO 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-20090312383-A1 Fused Heterocyclic Compounds NPY4R, CRHR1, CNR1 CRHR1 2/4885HSP90B1 4713/4885HPGD 2000/4885

“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.