SCHEMBL3057490

SCHEMBL3057490

COc1cc2c(N3CCC(c4ccccc4F)CC3)nncc2c(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NTSR1 P30989 14/20 0.45
SLC2A1 P11166 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE10A Q9Y233 2/20 0.39
GRM2 Q14416 2/20 0.38

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
SCHEMBL3049941 0.89 NTSR1 (0.45) NTSR1SLC2A1LMNAKMT2APDE10A
SCHEMBL3046918 0.85 PDE10A (0.53) NTSR1SLC2A1LMNAKMT2APDE10A
SCHEMBL3057939 0.85 GPR6 (0.43) LMNAKMT2APDE10A
SCHEMBL3056812 0.84 EHMT2 (0.40) NTSR1LMNAKMT2AGRM2
SCHEMBL3042364 0.82 PDE10A (0.36) NTSR1SLC2A1LMNAKMT2APDE10A
SCHEMBL3052033 0.82 PDE10A (0.41) NTSR1SLC2A1LMNAKMT2APDE10A
SCHEMBL3055190 0.81 NTSR1 (0.41) NTSR1LMNAKMT2APDE10A
SCHEMBL3049868 0.81 LMNA (0.42) NTSR1LMNAKMT2APDE10AGRM2
SCHEMBL3052995 0.80 PDE10A (0.49) NTSR1LMNAKMT2APDE10A
SCHEMBL3062919 0.80 DRD2 (0.45) LMNAKMT2APDE10AGRM2

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 NTSR1 2789/4885SLC2A1 4451/4885LMNA 4217/4885

“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.