SCHEMBL14416670

SCHEMBL14416670

CCc1nc(OC(CC)CC)cnc1-c1cc(OC(F)(F)F)ccc1OC

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 9/20 0.49
RUNX1 Q01196 1/20 0.39
CTSA P10619 6/20 0.37
SCN9A Q15858 1/20 0.37
ALPL P05186 1/20 0.36

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
SCHEMBL5425106 0.84 CRHR1 (0.51) CRHR1RUNX1CTSASCN9A
SCHEMBL5409101 0.82 CRHR1 (0.48) CRHR1RUNX1CTSASCN9AALPL
SCHEMBL14416669 0.82 CRHR1 (0.52) CRHR1CTSASCN9A
SCHEMBL5439627 0.80 CRHR1 (0.56) CRHR1RUNX1CTSASCN9A
SCHEMBL5539444 0.79 CRHR1 (0.54) CRHR1SCN9A
SCHEMBL6203375 0.77 CRHR1 (0.45) CRHR1RUNX1CTSASCN9A
SCHEMBL5404686 0.76 PIM1 (0.46) CRHR1RUNX1SCN9A
SCHEMBL5420376 0.73 CRHR1 (0.43) CRHR1RUNX1SCN9A
SCHEMBL4883920 0.72 CRHR1 (0.60) CRHR1CTSASCN9A
SCHEMBL4885196 0.72 CRHR1 (0.60) CRHR1RUNX1SCN9A

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-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-20070043056-A1 5-Substituted-2-arylpyrazines NEUROGEN CORPORATION (US) 2007-02-22 US disclosed
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

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 1/4885RUNX1 979/4885CTSA 1574/4885
US-20070043056-A1 5-Substituted-2-arylpyrazines HTR5A, CRHR2, HTR2C CRHR1 5/4885RUNX1 2039/4885CTSA 673/4885

“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.