SCHEMBL3347754

SCHEMBL3347754

Cc1cc2c(cc1N)N(C)C(=O)CO2

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.44
PDE3A Q14432 4/20 0.44
CYP11B2 P19099 2/20 0.43
CYP11B1 P15538 1/20 0.43
PTGER3 P43115 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ATAD2 Q6PL18 1/20 0.39
KMO O15229 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
BRD4 O60885 1/20 0.36
KLKB1 P03952 1/20 0.35
HTR1A P08908 1/20 0.35
HTR2C P28335 1/20 0.35
GRM4 Q14833 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
PLK1 P53350 1/20 0.35

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
SCHEMBL1744601 0.86 PDE3B (0.43) PDE3BPDE3ACYP11B2CYP11B1PTGER3
SCHEMBL8600208 0.83 CYP11B2 (0.42) PDE3BPDE3ACYP11B2CYP11B1PTGER3
SCHEMBL1744896 0.81 CYP11B2 (0.41) PDE3BPDE3ACYP11B2CYP11B1PTGER3
SCHEMBL3346100 0.81 KMO (0.44) KMOTSHRHTTBRD4PLK1
SCHEMBL16362074 0.81 PDE3B (0.44) PDE3BPDE3ACYP11B2CYP11B1PTGER3
SCHEMBL24824323 0.80 CYP11B2 (0.40) PDE3BPDE3ACYP11B2CYP11B1PTGER3
SCHEMBL4103368 0.80 HTR1A (0.45) PDE3BPDE3ACYP11B2CYP11B1PTGER3
SCHEMBL16972829 0.79 CYP11B2 (0.42) PDE3BPDE3ACYP11B2CYP11B1PTGER3
Bromide SCHEMBL1746818 0.77 PDE3B (0.37) PDE3BPDE3ACYP11B2CYP11B1PTGER3
SCHEMBL30954116 0.76 HTR1A (0.46) PDE3BPDE3ACYP11B2CYP11B1PTGER3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372865-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2013-02-12 US claimed
US-8372865-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2013-02-12 US 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 PDE3B 1272/4885PDE3A 1353/4885CYP11B2 2591/4885

“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.