SCHEMBL5414293

SCHEMBL5414293

CCCC(CCC)Oc1nc(CC)c(-c2ccc(F)cc2C)nc1CC

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 10/20 0.53
HSP90AB1 P08238 4/20 0.37
TLR8 Q9NR97 1/20 0.34
CTSA P10619 2/20 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
SCHEMBL5412865 0.95 CRHR1 (0.57) CRHR1HSP90AB1TLR8
SCHEMBL5421181 0.84 CRHR1 (0.48) CRHR1HSP90AB1TLR8CTSA
SCHEMBL7483586 0.79 TLR8 (0.41) CRHR1HSP90AB1TLR8
SCHEMBL5406493 0.78 CRHR1 (0.80) CRHR1
SCHEMBL5417534 0.77 CRHR1 (0.60) CRHR1
SCHEMBL5414876 0.77 CRHR1 (0.82) CRHR1
SCHEMBL5404638 0.75 CRHR1 (0.57) CRHR1
SCHEMBL5433663 0.75 CRHR1 (0.60) CRHR1
SCHEMBL5409833 0.74 CRHR1 (0.63) CRHR1
SCHEMBL5416470 0.74 CRHR1 (0.60) 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-20070225287-A1 Substituted Arylpyrazines YOON TAEYOUNG 2007-09-27 US disclosed
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-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

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-20070225287-A1 Substituted Arylpyrazines CRHR1, CRHR2, CRH CRHR1 1/4885HSP90AB1 2799/4885TLR8 1197/4885
US-20050215559-A1 Substituted arylpyrazines CRHR1, CRHR2, CRH CRHR1 1/4885HSP90AB1 2799/4885TLR8 1197/4885

“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.