SCHEMBL4629107

SCHEMBL4629107

COc1ccnc(-c2ccc(C)cc2OC)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 7/20 0.43
▸ CYP3A4 P08684 7/20 0.43
▸ CYP2D6 P10635 7/20 0.43
▸ CYP2C19 P33261 6/20 0.43
▸ TSHR P16473 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ LMNA P02545 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ S1PR1 P21453 1/20 0.39
▸ USP2 O75604 3/20 0.38
▸ ACVR2A P27037 1/20 0.38
▸ TGFBR2 P37173 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ SCN9A Q15858 1/20 0.37
▸ CRHR1 P34998 1/20 0.37
▸ HCRTR1 O43613 2/20 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
SCHEMBL4627925 0.83 CYP1A2 (0.43) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL11996641 0.82 ACHE (0.50) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL26985646 0.79 CYP1A2 (0.65) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL31506117 0.79 CYP1A2 (0.65) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL16277549 0.79 HCRTR1 (0.43) ALDH1A1LMNASMN1; SMN2TDP1HCRTR1
SCHEMBL14281983 0.79 CRHR1 (0.44) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL7031587 0.75 MEN1 (0.53) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL10305043 0.74 ABL1 (0.45) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
Ammonia Solution, Strong SCHEMBL28862501 0.73 MEN1 (0.51) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL9938324 0.73 ACHE (0.68) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1

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 CYP1A2 3547/4885CYP3A4 2475/4885CYP2D6 2783/4885

“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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