SCHEMBL3055964

SCHEMBL3055964

COc1cc2c(N3CCCC(OCc4ccccc4)C3)nncc2c(OC)c1OC

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PDE3A Q14432 2/20 0.39
EHMT2 Q96KQ7 4/20 0.39
DRD4 P21917 3/20 0.39
SIGMAR1 Q99720 3/20 0.39
MAOB P27338 1/20 0.38
HTR6 P50406 1/20 0.38
PDE10A Q9Y233 1/20 0.38
KIT P10721 2/20 0.38
TMEM97 Q5BJF2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL3051966 0.89 KMT2A (0.41) EHMT2SIGMAR1MAOBHTR6PDE10A
SCHEMBL3052625 0.87 PDE10A (0.52) CHRM2CHRM1CHRM3NPC1RAB9A
SCHEMBL3060045 0.86 GBA1 (0.46) PDE3APDE10A
SCHEMBL3051960 0.85 PDE10A (0.51) PDE3APDE10A
SCHEMBL3057226 0.82 PDE3A (0.58) PDE3APDE10AALDH1A1
SCHEMBL3055217 0.81 PDE3B (0.44) PDE3APDE10A
SCHEMBL3060684 0.80 PDE3A (0.43) NPC1RAB9APDE3APDE10AKIT
SCHEMBL3064635 0.79 PDE3B (0.42) PDE3APDE10A
SCHEMBL3058176 0.79 PROKR1 (0.50) PDE3APDE10A
SCHEMBL3052708 0.79 PDE10A (0.43) PDE3APDE10A

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 CHRM2 749/4885CHRM1 1039/4885CHRM3 889/4885

“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.