SCHEMBL5414784

SCHEMBL5414784

Cc1nc(-c2ccc(Cl)cc2Cl)c(C)nc1OC(c1ccccc1)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.43
SLC6A3 Q01959 9/20 0.43
SLC6A2 P23975 8/20 0.43
CRHR1 P34998 5/20 0.42
CYP2D6 P10635 2/20 0.40

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
SCHEMBL5415195 0.84 CRHR1 (0.47) CRHR1
SCHEMBL5419442 0.80 CRHR1 (0.63) CRHR1
SCHEMBL5533131 0.77 CRHR1 (0.51) CRHR1
SCHEMBL5415016 0.77 CRHR1 (0.51) CRHR1
SCHEMBL5412326 0.77 CRHR1 (0.46) CRHR1
SCHEMBL5417114 0.76 CRHR1 (0.50) CRHR1
SCHEMBL5414792 0.74 CRHR1 (0.64) CRHR1
SCHEMBL5414334 0.72 CRHR1 (0.46) CRHR1
SCHEMBL5417698 0.71 CNR1 (0.51) CRHR1
SCHEMBL5412305 0.70 CRHR1 (0.48) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 SLC6A4 193/4885SLC6A3 222/4885SLC6A2 157/4885
US-20050215559-A1 Substituted arylpyrazines CRHR1, CRHR2, CRH SLC6A4 193/4885SLC6A3 222/4885SLC6A2 157/4885

“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.