SCHEMBL1744601

SCHEMBL1744601

CN1C(=O)COc2cc(Br)c(N)cc21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.43
PDE3A Q14432 3/20 0.43
CYP11B2 P19099 2/20 0.42
CYP11B1 P15538 1/20 0.42
PTGER3 P43115 1/20 0.35
HTR1A P08908 2/20 0.34
HTR2C P28335 2/20 0.34
GRM4 Q14833 1/20 0.34
GABRA5 P31644 2/20 0.34
GABRA1 P14867 1/20 0.34
ALOX5 P09917 1/20 0.34
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
KLKB1 P03952 1/20 0.33
IDH1 O75874 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
Bromide SCHEMBL1746818 0.89 PDE3B (0.37) PDE3BPDE3ACYP11B2CYP11B1PTGER3
SCHEMBL3347754 0.86 PDE3B (0.44) PDE3BPDE3ACYP11B2CYP11B1PTGER3
SCHEMBL16362074 0.83 PDE3B (0.44) PDE3BPDE3ACYP11B2CYP11B1PTGER3
SCHEMBL8600208 0.81 CYP11B2 (0.42) PDE3BPDE3ACYP11B2CYP11B1PTGER3
SCHEMBL29209156 0.81 PDE3B (0.43) PDE3BPDE3ACYP11B2CYP11B1HTR1A
SCHEMBL16362406 0.80 PDE3B (0.42) PDE3BPDE3ACYP11B2CYP11B1HTR1A
SCHEMBL1744896 0.80 CYP11B2 (0.41) PDE3BPDE3ACYP11B2CYP11B1PTGER3
SCHEMBL3345870 0.80 KMO (0.42) TSHRHTT
SCHEMBL24824323 0.79 CYP11B2 (0.40) PDE3BPDE3ACYP11B2CYP11B1PTGER3
SCHEMBL30659587 0.79 HTR1A (0.45) PDE3BPDE3ACYP11B2CYP11B1HTR1A

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 12 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-20250333407-A1 Compounds and Their Use for Treatment of Hemoglobinopathies BRISTOL-MYERS SQUIBB COMPANY (US) 2025-10-30 US disclosed
US-8372865-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2013-02-12 US disclosed
US-8372865-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2013-02-12 US disclosed
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
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
US-20100160373-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 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 (2 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
US-20250333407-A1 Compounds and Their Use for Treatment of Hemoglobinopathies HBG1, HBG2, HBB PDE3B 293/4885PDE3A 335/4885CYP11B2 359/4885

“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.