SCHEMBL429226

SCHEMBL429226

CC1(C)OB(c2ccc3c(c2)CNC(=O)N3)OC1(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.51
PDE3A Q14432 2/20 0.51
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46
MAPK1 P28482 1/20 0.38
CRBN Q96SW2 1/20 0.37
LPL P06858 5/20 0.37
LIPG Q9Y5X9 5/20 0.37
PRMT5 O14744 2/20 0.36
WDR77 Q9BQA1 2/20 0.36
ROCK1 Q13464 1/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
BACE1 P56817 2/20 0.35
CA12 O43570 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 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
SCHEMBL31243804 0.79 AHR (0.49) PDE3BPDE3ACYP11B1CYP11B2LPL
SCHEMBL454535 0.79 AHR (0.49) PDE3BPDE3ACYP11B1CYP11B2LPL
SCHEMBL274197 0.78 ROCK1 (0.43) LPLLIPGPRMT5WDR77ROCK1
SCHEMBL422134 0.78 PDE3B (0.44) PDE3BPDE3ACYP11B1CYP11B2CRBN
SCHEMBL25431012 0.77 LIPG (0.41) LPLLIPGPRMT5WDR77ROCK1
SCHEMBL14659577 0.77 CYP11B1 (0.47) PDE3BPDE3ACYP11B1CYP11B2LPL
SCHEMBL30684519 0.77 CYP11B1 (0.47) PDE3BPDE3ACYP11B1CYP11B2LPL
SCHEMBL30520011 0.77 LIPG (0.41) LPLLIPGPRMT5WDR77ROCK1
SCHEMBL30820851 0.77 LIPG (0.41) LPLLIPGPRMT5WDR77ROCK1
SCHEMBL21384738 0.76 BRD4 (0.55) ROCK1

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
EP-2417121-A1 4, 5-DIHYDRO-1H-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES Pfizer Inc. (US) 2012-02-15 EP disclosed
US-20120022058-A1 4,5-DIHYDRO-1H-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES PFIZER INC. 2012-01-26 US disclosed
WO-2010116282-A1 4, 5-DIHYDRO-LH-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES PFIZER INC. (US) 2010-10-14 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-20120022058-A1 4,5-DIHYDRO-1H-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES NR3C2, REN, AGTR1 PDE3B 98/4885PDE3A 132/4885CYP11B1 9/4885

“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.