SCHEMBL3052045

SCHEMBL3052045

COc1cc2cnnc(N3CCC(Oc4ccc(F)cc4)CC3)c2cc1OC

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 12/20 0.47
CHRM4 P08173 2/20 0.45
PDE3B Q13370 12/20 0.45
PDE3A Q14432 12/20 0.45
SCD O00767 1/20 0.44
GPR6 P46095 1/20 0.43
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
CCR4 P51679 1/20 0.42

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
SCHEMBL3062116 0.92 PDE10A (0.49) PDE10APDE3BPDE3AGPR6LMNA
SCHEMBL3056015 0.89 PDE10A (0.56) PDE10ACHRM4PDE3BPDE3ALMNA
SCHEMBL3057181 0.89 PDE10A (0.47) PDE10ACHRM4PDE3BPDE3ASCD
SCHEMBL3062929 0.86 CHRM4 (0.43) PDE10ACHRM4PDE3BPDE3ASCD
SCHEMBL3051976 0.86 PDE10A (0.51) PDE10APDE3BPDE3ASCDGPR6
SCHEMBL3051634 0.85 PDE10A (0.54) PDE10APDE3BPDE3ASCDLMNA
SCHEMBL3059796 0.85 PDE10A (0.49) PDE10APDE3BPDE3AGPR6LMNA
SCHEMBL3049692 0.83 PDE10A (0.48) PDE10ACHRM4PDE3BPDE3AGPR6
SCHEMBL3056473 0.83 PDE10A (0.46) PDE10A
SCHEMBL3057869 0.83 PDE10A (0.57) PDE10APDE3BPDE3ASCDLMNA

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 PDE10A 6/4885CHRM4 931/4885PDE3B 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.