SCHEMBL4772740

SCHEMBL4772740

CC(C)(C)OCCNc1cc[c]cn1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.33
CYP2C19 P33261 3/20 0.31
CYP1A2 P05177 2/20 0.30
KDM4E B2RXH2 1/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
APEX1 P27695 1/20 0.30
CASP7 P55210 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30

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
SCHEMBL182952 0.82 HCAR3 (0.48) HCAR3CYP2C19CYP1A2KDM4ECYP3A4
SCHEMBL4769966 0.79 USP2 (0.37) HCAR3CYP2C19CYP1A2USP2ALDH1A1
SCHEMBL991740 0.76 HCAR3 (0.44) HCAR3CYP2C19ALDH1A1
SCHEMBL4778659 0.75 NUDT1 (0.45)
SCHEMBL4776276 0.73 HCAR3 (0.46) HCAR3TSHRALDH1A1CLK4
SCHEMBL4777990 0.73 CHEK1 (0.37) CYP1A2KDM4ECLK4
SCHEMBL182723 0.73 KDM4E (0.42) CYP2C19CYP1A2KDM4EALDH1A1CLK4
SCHEMBL4777917 0.72 IL1B (0.36)
SCHEMBL933094 0.72 CYP2C19 (0.56) CYP2C19
SCHEMBL4772592 0.72 IL1B (0.36) CLK4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1991530-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-19 EP claimed
US-20070265256-A1 Phosphodiesterase 10 inhibitors AMGEN INC. 2007-11-15 US claimed
WO-2007098169-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-08-30 WO claimed
EP-1991530-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-19 EP disclosed
US-20070265256-A1 Phosphodiesterase 10 inhibitors AMGEN INC. 2007-11-15 US disclosed
WO-2007098169-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-08-30 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-20070265256-A1 Phosphodiesterase 10 inhibitors PDE7A, PDE7B, PDE10A HCAR3 2670/4885CYP2C19 548/4885CYP1A2 748/4885

“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.