SCHEMBL3367902

SCHEMBL3367902

CCOC(=O)C=C1N[C@@H](C)Cc2cc(OC)c(OC)cc21

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.63
LMNA P02545 1/20 0.63
ALDH1A1 P00352 3/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
GAA P10253 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
HPGD P15428 1/20 0.54
CYP2C19 P33261 1/20 0.54
KMT2A Q03164 4/20 0.50
ACHE P22303 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 2/20 0.40
KCNK3 O14649 1/20 0.39
POLB P06746 1/20 0.38
FDPS P14324 1/20 0.37

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
SCHEMBL3367895 1.00 KDM4E (0.63) KDM4ELMNAALDH1A1CYP1A2CYP3A4
SCHEMBL3844939 0.87 KDM4E (0.46) KDM4ELMNAALDH1A1CYP1A2CYP3A4
SCHEMBL3844940 0.87 KDM4E (0.46) KDM4ELMNAALDH1A1CYP1A2CYP3A4
SCHEMBL3371855 0.87 KDM4E (0.61) KDM4ELMNAALDH1A1CYP1A2CYP3A4
SCHEMBL3371851 0.87 KDM4E (0.61) KDM4ELMNAALDH1A1CYP1A2CYP3A4
SCHEMBL3402763 0.85 KDM4E (0.59) KDM4ELMNAALDH1A1CYP1A2CYP3A4
SCHEMBL3402759 0.85 KDM4E (0.59) KDM4ELMNAALDH1A1CYP1A2CYP3A4
SCHEMBL3373337 0.82 KDM4E (0.48) KDM4ELMNAALDH1A1CYP1A2CYP3A4
SCHEMBL3373335 0.82 KDM4E (0.48) KDM4ELMNAALDH1A1CYP1A2CYP3A4
SCHEMBL7257792 0.80 KDM4E (0.65) KDM4ELMNAALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1641792-B1 PYRROLODIHYDROISOQUINOLINES AS PDE10 INHIBITORS NYCOMED GMBH (DE) 2010-08-25 EP disclosed
EP-1641457-B1 PYRROLO-DIHYDROISOQUINOLINE DERIVATIVES AS PDE10 INHIBITORS NYCOMED GMBH (DE) 2009-08-05 EP disclosed
US-20070105840-A1 Pyrrolo-dihydroisoquinoline derivatives as pde10 inhibitors ALTANA PHARMA AG (DE) 2007-05-10 US disclosed
US-20060148840-A1 Pyrrolodihydroisoquinolines as pde10 inhibitors ALTANA PHARMA AG (DE) 2006-07-06 US disclosed
EP-1641457-A1 PYRROLO-DIHYDROISOQUINOLINE DERIVATIVES AS PDE10 INHIBITORS ALTANA Pharma AG (DE) 2006-04-05 EP disclosed
EP-1641792-A1 PYRROLODIHYDROISOQUINOLINES AS PDE10 INHIBITORS ALTANA Pharma AG (DE) 2006-04-05 EP disclosed
WO-2005002579-A1 PYRROLO-DIHYDROISOQUINOLINE DERIVATIVES AS PDE10 INHIBITORS ALTANA PHARMA AG (DE) 2005-01-13 WO disclosed
WO-2005003129-A1 PYRROLODIHYDROISOQUINOLINES AS PDE10 INHIBITORS ALTANA PHARMA AG (DE) 2005-01-13 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 (2 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-20060148840-A1 Pyrrolodihydroisoquinolines as pde10 inhibitors PDE12, PDE3A, PDE3B KDM4E 269/4885LMNA 3392/4885ALDH1A1 848/4885
US-20070105840-A1 Pyrrolo-dihydroisoquinoline derivatives as pde10 inhibitors PDE12, PDE2A, PDE5A KDM4E 847/4885LMNA 2383/4885ALDH1A1 665/4885

“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.