SCHEMBL5406563

SCHEMBL5406563

CCOc1cc(O[Si](C)(C)C(C)(C)C)ccc1-c1nc(CC)c(OC(CC)CC)nc1CC

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 17/20 0.51
CA12 O43570 3/20 0.32
CA1 P00915 3/20 0.32
CA9 Q16790 3/20 0.32

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
SCHEMBL5410168 0.90 CRHR1 (0.51) CRHR1CA12CA1CA9
SCHEMBL5406595 0.87 CRHR1 (0.59) CRHR1
SCHEMBL5406544 0.84 CRHR1 (0.56) CRHR1
SCHEMBL7480061 0.84 CRHR1 (0.40) CRHR1CA12CA1CA9
SCHEMBL5410191 0.83 CRHR1 (0.55) CRHR1
SCHEMBL5416387 0.81 CRHR1 (0.65) CRHR1
SCHEMBL5403930 0.80 CRHR1 (0.56) CRHR1
SCHEMBL5535873 0.80 CRHR1 (0.58) CRHR1
SCHEMBL7472066 0.78 CRHR1 (0.41) CRHR1CA12CA1CA9
SCHEMBL5423316 0.77 CRHR1 (0.63) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1500653-A1 Substituted arylpyrazines Neurogen Corporation (US) 2005-01-26 EP claimed
US-20030018035-A1 Substituted arylpyrazines NEUROGEN CORPORATION 2003-01-23 US claimed
EP-1255740-A2 SUBSTITUTED ARYLPYRAZINES NEUROGEN CORPORATION (US) 2002-11-13 EP claimed
WO-2001060806-A2 SUBSTITUTED ARYLPYRAZINES NEUROGEN CORPORATION (US) 2001-08-23 WO claimed
US-20070225287-A1 Substituted Arylpyrazines YOON TAEYOUNG 2007-09-27 US disclosed
US-20070225287-A1 Substituted Arylpyrazines YOON TAEYOUNG 2007-09-27 US disclosed
US-7202250-B2 Substituted arylpyrazines NEUROGEN CORPORATION (US) 2007-04-10 US disclosed
US-7202250-B2 Substituted arylpyrazines NEUROGEN CORPORATION (US) 2007-04-10 US disclosed
US-6995161-B2 Substituted arylpyrazines NEUROGEN CORPORATION (US) 2006-02-07 US disclosed
US-20050215559-A1 Substituted arylpyrazines NEUROGEN CORPORATION 2005-09-29 US disclosed
EP-1255740-A2 SUBSTITUTED ARYLPYRAZINES NEUROGEN CORPORATION (US) 2002-11-13 EP disclosed
WO-2001060806-A2 SUBSTITUTED ARYLPYRAZINES NEUROGEN CORPORATION (US) 2001-08-23 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 (3 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-20070225287-A1 Substituted Arylpyrazines CRHR1, CRHR2, CRH CRHR1 1/4885CA12 4131/4885CA1 4065/4885
US-20050215559-A1 Substituted arylpyrazines CRHR1, CRHR2, CRH CRHR1 1/4885CA12 4131/4885CA1 4065/4885
US-20030018035-A1 Substituted arylpyrazines CRHR1, CRHR2, CRH CRHR1 1/4885CA12 4146/4885CA1 4077/4885

“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.