SCHEMBL1744239

SCHEMBL1744239

Cc1[c]cc2c(c1)OCC(=O)N2C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.43
CYP11B1 P15538 1/20 0.43
PDE3B Q13370 4/20 0.39
PDE3A Q14432 4/20 0.39
HTR1A P08908 3/20 0.35
HTR2C P28335 2/20 0.35
GABRA5 P31644 3/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA1 P14867 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
ALOX5 P09917 2/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
SLC6A4 P31645 1/20 0.34
KCNH2 Q12809 1/20 0.34
PTGER3 P43115 1/20 0.33
IDH1 O75874 1/20 0.33
GRM4 Q14833 1/20 0.33

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
SCHEMBL1744113 0.83 CYP11B2 (0.42) CYP11B2CYP11B1PDE3BPDE3AHTR1A
SCHEMBL1744942 0.80 CYP11B2 (0.40) CYP11B2CYP11B1PDE3BPDE3AHTR1A
SCHEMBL5985192 0.73 CYP11B2 (0.55) CYP11B2CYP11B1PDE3BPDE3AHTR1A
SCHEMBL1450493 0.72 PDE3B (0.42) CYP11B2CYP11B1PDE3BPDE3AHTR1A
SCHEMBL3347754 0.71 PDE3B (0.44) CYP11B2CYP11B1PDE3BPDE3AHTR1A
SCHEMBL16362074 0.71 PDE3B (0.44) CYP11B2CYP11B1PDE3BPDE3AHTR1A
SCHEMBL1746770 0.70 CYP11B2 (0.40) CYP11B2CYP11B1PDE3BPDE3A
SCHEMBL280110 0.70 TSHR (0.58) PDE3BPDE3ATSHRHTT
SCHEMBL13849355 0.70 HTR1A (0.46) CYP11B2CYP11B1PDE3BPDE3AHTR1A
SCHEMBL520359 0.69 CYP11B2 (0.53) CYP11B2CYP11B1PDE3BPDE3AHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2385939-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. Hoffmann-La Roche AG (CH) 2011-11-16 EP claimed
US-8041551-B1 Algorithm and architecture for multi-argument associative operations that minimizes the number of components using a latency of the components THE MATHWORKS, INC. (US) 2011-10-18 US claimed
WO-2010072597-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO claimed
US-20100160373-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 US claimed
US-8372865-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2013-02-12 US disclosed
EP-2385939-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. Hoffmann-La Roche AG (CH) 2011-11-16 EP disclosed
US-8041551-B1 Algorithm and architecture for multi-argument associative operations that minimizes the number of components using a latency of the components THE MATHWORKS, INC. (US) 2011-10-18 US disclosed
WO-2010072597-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO disclosed
US-20100160373-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 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-20100160373-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX3, P2RX1 CYP11B2 2591/4885CYP11B1 2424/4885PDE3B 1272/4885

“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.