SCHEMBL5438087

SCHEMBL5438087

CCC(CC)Nc1nc(C)c(-c2cnc(OC)nc2OC)nc1OC

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 20/20 0.69

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
SCHEMBL5441111 0.88 CRHR1 (0.89) CRHR1
SCHEMBL5411511 0.82 CRHR1 (1.00) CRHR1
SCHEMBL14581641 0.81 CRHR1 (0.64) CRHR1
SCHEMBL5437935 0.79 CRHR1 (0.57) CRHR1
SCHEMBL5436040 0.79 CRHR1 (0.69) CRHR1
SCHEMBL6203258 0.79 CRHR1 (0.47) CRHR1
SCHEMBL5434844 0.78 CRHR1 (0.60) CRHR1
SCHEMBL5432930 0.78 CRHR1 (0.60) CRHR1
SCHEMBL5434076 0.78 CRHR1 (0.56) CRHR1
SCHEMBL5441676 0.78 CRHR1 (0.59) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043056-A1 5-Substituted-2-arylpyrazines NEUROGEN CORPORATION (US) 2007-02-22 US claimed
EP-1554258-A1 5-SUBSTITUTED-2-ARYLPYRAZINES AS MODULATORS OF CRF RECEPTORS NEUROGEN CORPORATION (US) 2005-07-20 EP claimed
US-20040106620-A1 5-Substituted-2-arylpyrazines NEUROGEN CORPORATION 2004-06-03 US claimed
WO-2004018437-A1 5-SUBSTITUTED-2-ARYLPYRAZINES AS MODULATORS OF CRF RECEPTORS NEUROGEN CORPORATION (US) 2004-03-04 WO claimed
US-20070043056-A1 5-Substituted-2-arylpyrazines NEUROGEN CORPORATION (US) 2007-02-22 US disclosed
US-7179807-B2 5-substituted-2-arylpyrazines NEUROGEN CORPORATION (US) 2007-02-20 US disclosed
US-7179807-B2 5-substituted-2-arylpyrazines NEUROGEN CORPORATION (US) 2007-02-20 US disclosed
US-7179807-B2 5-substituted-2-arylpyrazines NEUROGEN CORPORATION (US) 2007-02-20 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 (2 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-20040106620-A1 5-Substituted-2-arylpyrazines HTR5A, CRHR2, HTR2C CRHR1 5/4885
US-20070043056-A1 5-Substituted-2-arylpyrazines HTR5A, CRHR2, HTR2C CRHR1 5/4885

“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.