SCHEMBL3055244

SCHEMBL3055244

COc1cc2c(N3CCC(Oc4cccc(C)c4)CC3)nncc2c(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 13/20 0.41
PDE3A Q14432 13/20 0.41
PDE10A Q9Y233 12/20 0.41
CHRM4 P08173 1/20 0.39
GPR6 P46095 1/20 0.39
TGFBR1 P36897 1/20 0.39
ACVR1 Q04771 1/20 0.39
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL3049166 0.92 GPR6 (0.45) PDE3BPDE3APDE10AGPR6TGFBR1
SCHEMBL3053175 0.90 LMNA (0.44) PDE3BPDE3APDE10ACHRM4GPR6
SCHEMBL3062047 0.89 PDE3B (0.41) PDE3BPDE3APDE10ACHRM4GPR6
SCHEMBL3052708 0.89 PDE10A (0.43) PDE3BPDE3APDE10A
SCHEMBL3049692 0.87 PDE10A (0.48) PDE3BPDE3APDE10ACHRM4GPR6
SCHEMBL3060696 0.87 TGFBR1 (0.44) PDE3BPDE3APDE10AGPR6TGFBR1
SCHEMBL3052995 0.85 PDE10A (0.49) PDE3BPDE3APDE10ALMNAKMT2A
SCHEMBL3062929 0.84 CHRM4 (0.43) PDE3BPDE3APDE10ACHRM4GPR6
SCHEMBL3052978 0.84 PDE10A (0.52) PDE3BPDE3APDE10ALMNAKMT2A
SCHEMBL3057939 0.81 GPR6 (0.43) PDE3BPDE3APDE10AGPR6LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222353-A1 AMINOPHTHALAZINE DERIVATIVE COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-09-02 US claimed
EP-1981868-A2 AMINOPHTHALAZINE DERIVATIVE COMPOUNDS Pfizer Products Inc. (US) 2008-10-22 EP claimed
WO-2007085954-A2 AMINOPHTHALAZINE DERIVATIVE COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-08-02 WO claimed
US-20100222353-A1 AMINOPHTHALAZINE DERIVATIVE COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-09-02 US disclosed
EP-1981868-A2 AMINOPHTHALAZINE DERIVATIVE COMPOUNDS Pfizer Products Inc. (US) 2008-10-22 EP disclosed
WO-2007085954-A2 AMINOPHTHALAZINE DERIVATIVE COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-08-02 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-20100222353-A1 AMINOPHTHALAZINE DERIVATIVE COMPOUNDS PDE12, PDE5A, PDE2A PDE3B 9/4885PDE3A 5/4885PDE10A 6/4885

“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.