SCHEMBL3341272

SCHEMBL3341272

CCOC(=O)C(C(=O)OCC)c1cc(N)ccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.44
MAOA P21397 2/20 0.44
LMNA P02545 2/20 0.44
CYP1A2 P05177 1/20 0.44
CHRM2 P08172 1/20 0.41
CHRM3 P20309 1/20 0.41
HTR2C P28335 1/20 0.41
CHRNA4 P43681 1/20 0.41
HTR3A P46098 1/20 0.41
KCNH2 Q12809 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
CASP1 P29466 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
TSHR P16473 2/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
MMP8 P22894 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL27558594 0.88 CYP3A4 (0.44) CYP3A4MAOALMNACYP1A2CHRM2
SCHEMBL7968087 0.84 CYP3A4 (0.41) CYP3A4MAOALMNACYP1A2CHRM2
SCHEMBL5004400 0.83 CASP1 (0.41) LMNACYP1A2CASP1SMN1; SMN2TSHR
SCHEMBL3347019 0.78 GPR35 (0.37) CYP3A4MAOALMNACYP1A2CASP1
SCHEMBL5861445 0.77 CASP1 (0.59) LMNACASP1TSHRMMP8KMT2A
SCHEMBL3340975 0.77 NPSR1 (0.52) LMNASMN1; SMN2KMT2AMEN1MAPT
SCHEMBL3341280 0.76 MAPT (0.38) CYP3A4MAOALMNACYP1A2CHRM2
SCHEMBL3343596 0.76 GPR35 (0.38) LMNACYP1A2CASP1SMN1; SMN2TSHR
SCHEMBL5593462 0.75 NR3C2 (0.47) CASP1TSHR
SCHEMBL7767699 0.75 CYP3A4 (0.41) CYP3A4MAOALMNACYP1A2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288552-B2 Dihydropyridone amidesas P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-10-16 US disclosed
US-8288552-B2 Dihydropyridone amidesas P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-10-16 US disclosed
US-8288552-B2 Dihydropyridone amidesas P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-10-16 US disclosed
EP-2391604-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. Hoffmann-La Roche AG (CH) 2011-12-07 EP disclosed
CN-102264702-A As P2X7Dihydropyridinone amides as modulators 2011-11-30 CN disclosed
WO-2010072605-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO disclosed
WO-2010072605-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO disclosed
US-20100160389-A1 DIHYDROPYRIDONE AMIDESAS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 US disclosed
US-20100160389-A1 DIHYDROPYRIDONE AMIDESAS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 US disclosed
US-20100160389-A1 DIHYDROPYRIDONE AMIDESAS 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-20100160389-A1 DIHYDROPYRIDONE AMIDESAS P2X7 MODULATORS P2RX3, P2RX1, P2RY1 CYP3A4 1812/4885MAOA 3054/4885LMNA 2542/4885

“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.