SCHEMBL3370337

SCHEMBL3370337

COc1cc2c(cc1OC)C(=CC#N)NC(C)C2

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
MAPT P10636 2/20 0.56
MAPK1 P28482 1/20 0.56
ACHE P22303 6/20 0.43
CYP3A4 P08684 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL3370335 1.00 ALDH1A1 (0.56) ALDH1A1MAPTMAPK1ACHECYP3A4
SCHEMBL3844940 0.77 KDM4E (0.46) ALDH1A1ACHECYP3A4KDM4EKMT2A
SCHEMBL3844939 0.77 KDM4E (0.46) ALDH1A1ACHECYP3A4KDM4EKMT2A
SCHEMBL3369853 0.75 MAPT (0.60) ALDH1A1MAPTMAPK1ACHECYP3A4
SCHEMBL3369857 0.75 MAPT (0.60) ALDH1A1MAPTMAPK1ACHECYP3A4
SCHEMBL31619838 0.75 MAPT (0.60) ALDH1A1MAPTMAPK1ACHECYP3A4
SCHEMBL3367895 0.73 KDM4E (0.63) ALDH1A1ACHECYP3A4KDM4EKMT2A
SCHEMBL3367902 0.73 KDM4E (0.63) ALDH1A1ACHECYP3A4KDM4EKMT2A
SCHEMBL7569727 0.69 ACHE (0.44) ALDH1A1MAPK1ACHEKDM4EKMT2A
SCHEMBL23369357 0.69 PDE4A (0.56) ALDH1A1MAPTMAPK1ACHEKDM4E

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-1641792-A1 PYRROLODIHYDROISOQUINOLINES AS PDE10 INHIBITORS ALTANA Pharma AG (DE) 2006-04-05 EP disclosed
EP-1641457-A1 PYRROLO-DIHYDROISOQUINOLINE DERIVATIVES 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 ALDH1A1 848/4885MAPT 3379/4885MAPK1 1915/4885
US-20070105840-A1 Pyrrolo-dihydroisoquinoline derivatives as pde10 inhibitors PDE12, PDE2A, PDE5A ALDH1A1 665/4885MAPT 1795/4885MAPK1 1254/4885

“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.