SCHEMBL14281980

SCHEMBL14281980

CCC(CC)Nc1cnc(-c2ccc(OC(F)(F)F)cc2OC)nc1O

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 14/20 0.56
▸ ADORA3 P0DMS8 1/20 0.38
▸ CTSA P10619 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ GRM7 Q14831 1/20 0.37
▸ RUNX1 Q01196 1/20 0.37

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
SCHEMBL14281978 0.89 CRHR1 (0.57) CRHR1ADORA3CTSARUNX1
SCHEMBL14281979 0.88 CRHR1 (0.56) CRHR1
SCHEMBL14281981 0.80 ABL1 (0.44) CRHR1ABL1RUNX1
SCHEMBL5420406 0.76 CRHR1 (0.68) CRHR1RUNX1
SCHEMBL5421086 0.76 CRHR1 (0.69) CRHR1
SCHEMBL5431714 0.76 CRHR1 (0.69) CRHR1RUNX1
SCHEMBL5415730 0.75 CRHR1 (0.72) CRHR1
SCHEMBL5429162 0.73 CRHR1 (0.86) CRHR1
SCHEMBL14420765 0.73 CRHR1 (0.58) CRHR1CTSA
SCHEMBL14517845 0.72 CRHR1 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080015196-A1 Imidazopyrazines, Imidazopyridines, and Imidazopyrimidines as Crf1 Receptor Ligands NEUROGEN CORPORATION (US) 2008-01-17 — — US disclosed
US-20080015196-A1 Imidazopyrazines, Imidazopyridines, and Imidazopyrimidines as Crf1 Receptor Ligands NEUROGEN CORPORATION (US) 2008-01-17 — — 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 (1 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-20080015196-A1 Imidazopyrazines, Imidazopyridines, and Imidazopyrimidines as Crf1 Receptor Ligands CRHR1, CRHR2, CRHBP CRHR1 1/4885ADORA3 432/4885CTSA 1798/4885

“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.

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