SCHEMBL3051634

SCHEMBL3051634

COc1cc2cnnc(N3CCC(Oc4ccccc4OC)CC3)c2cc1OC

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 12/20 0.54
PDE3B Q13370 6/20 0.50
PDE3A Q14432 6/20 0.50
LMNA P02545 1/20 0.50
KMT2A Q03164 1/20 0.50
SCD O00767 1/20 0.47
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
NTSR1 P30989 2/20 0.44
HTR1A P08908 1/20 0.43
TSPO P30536 1/20 0.43
HTR7 P34969 1/20 0.43
HRH1 P35367 1/20 0.43
OPRM1 P35372 1/20 0.43
HTR3A P46098 1/20 0.43
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL3057869 0.92 PDE10A (0.57) PDE10APDE3BPDE3ALMNAKMT2A
SCHEMBL3051976 0.91 PDE10A (0.51) PDE10APDE3BPDE3ALMNAKMT2A
SCHEMBL3056015 0.90 PDE10A (0.56) PDE10APDE3BPDE3ALMNAKMT2A
SCHEMBL3052150 0.88 PDE10A (0.59) PDE10APDE3BPDE3ALMNAKMT2A
SCHEMBL3064752 0.88 PDE10A (0.58) PDE10APDE3BPDE3APDE4APDE4B
SCHEMBL3062116 0.86 PDE10A (0.49) PDE10APDE3BPDE3ALMNAKMT2A
SCHEMBL3052045 0.85 PDE10A (0.47) PDE10APDE3BPDE3ALMNAKMT2A
SCHEMBL3052995 0.85 PDE10A (0.49) PDE10APDE3BPDE3ALMNAKMT2A
SCHEMBL3059796 0.85 PDE10A (0.49) PDE10APDE3BPDE3ALMNAKMT2A
SCHEMBL3049692 0.84 PDE10A (0.48) PDE10APDE3BPDE3ALMNAKMT2A

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 4 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
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 6/4885PDE3B 9/4885PDE3A 5/4885

“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.