SCHEMBL6690875

SCHEMBL6690875

O=C(Cc1ccccc1OCCN1CCOCC1)OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 4/20 0.65
DRD5 P21918 4/20 0.65
DRD4 P21917 3/20 0.65
ALDH1A1 P00352 3/20 0.62
POLB P06746 2/20 0.57
KDM4E B2RXH2 1/20 0.56
HRH1 P35367 4/20 0.51
DRD3 P35462 3/20 0.50
ABCB1 P08183 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
DRD2 P14416 2/20 0.49
USP2 O75604 1/20 0.49
LTA4H P09960 1/20 0.49

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
SCHEMBL6689247 0.85 DRD1 (0.68) DRD1DRD5DRD4ALDH1A1POLB
SCHEMBL6629117 0.82 DRD1 (0.59) DRD1DRD5DRD4ALDH1A1POLB
SCHEMBL20347267 0.80 ALDH1A1 (0.72) ALDH1A1POLBLTA4H
SCHEMBL4024630 0.79 DRD1 (0.71) DRD1DRD5DRD4ALDH1A1POLB
SCHEMBL6756721 0.78 KDM4E (0.60) DRD1DRD5DRD4ALDH1A1POLB
SCHEMBL8324677 0.78 L3MBTL1 (0.64) ALDH1A1KDM4EABCB1L3MBTL1DRD2
SCHEMBL240294 0.77 DRD1 (0.71) DRD1DRD5DRD4POLBKDM4E
SCHEMBL7123326 0.77 DRD1 (0.71) DRD1DRD5DRD4POLBKDM4E
SCHEMBL3816351 0.76 DRD1 (0.57) DRD1DRD5DRD4ALDH1A1POLB
SCHEMBL8703127 0.76 DRD1 (0.74) DRD1DRD5DRD4POLBKDM4E

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 2310/4885DRD5 3449/4885DRD4 3777/4885

“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.