SCHEMBL6689247

SCHEMBL6689247

O=C(O)Cc1ccccc1OCCN1CCOCC1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 2/20 0.68
DRD4 P21917 2/20 0.68
DRD5 P21918 2/20 0.68
POLB P06746 2/20 0.65
KDM4E B2RXH2 5/20 0.64
USP2 O75604 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ALDH1A1 P00352 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
HRH1 P35367 2/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
DRD3 P35462 1/20 0.51

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
SCHEMBL7332018 0.86 HRH1 (0.67) DRD1DRD4DRD5KDM4EL3MBTL1
SCHEMBL1600507 0.85 CNR1 (0.61) DRD1DRD4DRD5POLBKDM4E
SCHEMBL6690875 0.85 DRD1 (0.65) DRD1DRD4DRD5POLBKDM4E
SCHEMBL240294 0.83 DRD1 (0.71) DRD1DRD4DRD5POLBKDM4E
SCHEMBL7123326 0.83 DRD1 (0.71) DRD1DRD4DRD5POLBKDM4E
Hydrochloric Acid SCHEMBL14966707 0.82 DRD1 (0.69) DRD1DRD4DRD5POLBKDM4E
SCHEMBL6997049 0.82 DRD1 (0.72) DRD1DRD4DRD5POLBKDM4E
SCHEMBL6042440 0.81 POLB (0.68) DRD1DRD4DRD5POLBKDM4E
SCHEMBL8475269 0.81 L3MBTL1 (0.74) DRD1DRD4DRD5POLBKDM4E
SCHEMBL110986 0.81 DRD1 (0.71) DRD1DRD4DRD5POLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004096811-A1 PDE9 INHIBITORS FOR TREATING TYPE 2 DIABETES, METABOKIC SYNDROME, AND CARDIOVASCULAR DISEASE PFIZER PRODUCTS INC. (US) 2004-11-11 WO disclosed
US-20040220186-A1 PDE9 inhibitors for treating type 2 diabetes,metabolic syndrome, and cardiovascular disease PFIZER INC. 2004-11-04 US 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-20040220186-A1 PDE9 inhibitors for treating type 2 diabetes,metabolic syndrome, and cardiovascular disease PDE9A, PDE2A, PDE12 DRD1 2310/4885DRD4 3777/4885DRD5 3449/4885

“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.