SCHEMBL4628366

SCHEMBL4628366

COc1cc(C)ccc1-c1ncc(Cl)c(O)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 4/20 0.43
▸ THRB P10828 1/20 0.41
▸ MAPT P10636 6/20 0.41
▸ HPGD P15428 6/20 0.41
▸ L3MBTL1 Q9Y468 4/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ CYP2C19 P33261 3/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39

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
SCHEMBL14281981 0.81 ABL1 (0.44) SCN9ACRHR1
SCHEMBL4627925 0.75 CYP1A2 (0.43) SCN9ATHRBMAPTHPGDMEN1
SCHEMBL8378610 0.74 KMT2A (0.50) THRBMAPTHPGDMEN1KMT2A
SCHEMBL10304951 0.71 ABL1 (0.43) —
SCHEMBL4629107 0.71 CYP1A2 (0.43) SCN9ATHRBCYP2C19ALDH1A1USP2
SCHEMBL11996641 0.71 ACHE (0.50) MAPTHPGDL3MBTL1MEN1KMT2A
SCHEMBL19756249 0.70 NPC1 (0.59) THRBMAPTMEN1KMT2ACYP2C19
SCHEMBL13649273 0.69 FGFR4 (0.42) SCN9AHPGDL3MBTL1MEN1KMT2A
SCHEMBL9938324 0.69 ACHE (0.68) MAPTHPGDL3MBTL1MEN1KMT2A
SCHEMBL19756254 0.69 NPC1 (0.57) MAPTMEN1KMT2ACYP2C19CYP2C9

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
EP-1734820-A4 IMIDAZOPYRAZINES, IMIDAZOPYRIDINES, AND IMIDAZOPYRIMIDINES AS CRF1 RECEPTOR LIGANDS NEUROGEN CORP (US) 2008-01-23 — — EP disclosed
US-20080015196-A1 Imidazopyrazines, Imidazopyridines, and Imidazopyrimidines as Crf1 Receptor Ligands NEUROGEN CORPORATION (US) 2008-01-17 — — US disclosed
EP-1734820-A2 IMIDAZOPYRAZINES, IMIDAZOPYRIDINES, AND IMIDAZOPYRIMIDINES AS CRF1 RECEPTOR LIGANDS Neurogen Corporation (US) 2006-12-27 — — EP disclosed
WO-2005115399-A2 IMIDAZOPYRAZINES, IMIDAZOPYRIDINES, ANS IMIDAZOPYRIMIDINES AS CRF1 RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2005-12-08 — — WO 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 SCN9A 4698/4885THRB 727/4885MAPT 3153/4885

“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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