SCHEMBL3844940

SCHEMBL3844940

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
ACHE P22303 4/20 0.46
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL3844939 1.00 KDM4E (0.46) KDM4ELMNAACHEKMT2AMEN1
SCHEMBL3367902 0.87 KDM4E (0.63) KDM4ELMNAACHEKMT2AMEN1
SCHEMBL3367895 0.87 KDM4E (0.63) KDM4ELMNAACHEKMT2AMEN1
SCHEMBL3370337 0.77 ALDH1A1 (0.56) KDM4EACHEKMT2AALDH1A1CYP3A4
SCHEMBL3370335 0.77 ALDH1A1 (0.56) KDM4EACHEKMT2AALDH1A1CYP3A4
SCHEMBL3402759 0.74 KDM4E (0.59) KDM4ELMNAACHEKMT2AMEN1
SCHEMBL3402763 0.74 KDM4E (0.59) KDM4ELMNAACHEKMT2AMEN1
SCHEMBL3371855 0.74 KDM4E (0.61) KDM4ELMNAACHEKMT2AMEN1
SCHEMBL3371851 0.74 KDM4E (0.61) KDM4ELMNAACHEKMT2AMEN1
SCHEMBL14528991 0.70 MEN1 (0.36) KDM4ELMNAKMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1838707-B1 NOVEL PYRROLODIHYDROISOQUINOLINES AS PDE10 INHIBITORS NYCOMED GMBH (DE) 2009-04-29 EP disclosed
US-20080161338-A1 Novel Pyrrolodihydroisoquinolines as Pde 10 Inhibitors ALTANA PHARMA AG (DE) 2008-07-03 US disclosed
EP-1838707-A1 NOVEL PYRROLODIHYDROISOQUINOLINES AS PDE10 INHIBITORS Nycomed GmbH (DE) 2007-10-03 EP disclosed
WO-2006089815-A1 NOVEL PYRROLODIHYDROISOQUINOLINES AS PDE10 INHIBITORS NYCOMED GMBH (DE) 2006-08-31 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-20080161338-A1 Novel Pyrrolodihydroisoquinolines as Pde 10 Inhibitors PDE12, PDE5A, PDE3A KDM4E 202/4885LMNA 3839/4885ACHE 600/4885

“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.