SCHEMBL3397206

SCHEMBL3397206

COC(=O)C(C)c1ccc2n1CCc1ccccc1-2

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.39
MTNR1B P49286 6/20 0.39
KMT2A Q03164 2/20 0.39
RECQL P46063 1/20 0.38
ALDH1A1 P00352 2/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
GABRA1 P14867 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
TACR3 P29371 1/20 0.35

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
SCHEMBL216474 0.73 BRD4 (0.42) MTNR1AMTNR1BKMT2AALDH1A1MEN1
SCHEMBL31105304 0.72 SRD5A1 (0.41) MTNR1AMTNR1BKMT2AALDH1A1MEN1
SCHEMBL3397210 0.71 HDAC1 (0.48) MTNR1AMTNR1BKMT2AALDH1A1MEN1
SCHEMBL215395 0.69 SERPINE1 (0.39) RECQLALDH1A1LMNAL3MBTL1KDM4E
SCHEMBL2736495 0.69 ALDH1A1 (0.45) KMT2AALDH1A1MEN1LMNAKDM4E
SCHEMBL1158808 0.68 BCAT2 (0.46) MTNR1AMTNR1BKMT2AMEN1KDM4E
SCHEMBL23706207 0.68 ALDH1A1 (0.56) KMT2AALDH1A1MEN1LMNAL3MBTL1
SCHEMBL2736494 0.67 CES1 (0.41) KMT2AALDH1A1MEN1L3MBTL1KDM4E
SCHEMBL9336210 0.65 KDM4E (0.47) KMT2ARECQLALDH1A1LMNAKDM4E
SCHEMBL2498448 0.65 BCAT2 (0.37) MTNR1AMTNR1BKMT2AALDH1A1MEN1

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-2005003129-A1 PYRROLODIHYDROISOQUINOLINES AS PDE10 INHIBITORS ALTANA PHARMA AG (DE) 2005-01-13 WO disclosed
WO-2005002579-A1 PYRROLO-DIHYDROISOQUINOLINE DERIVATIVES 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 MTNR1A 3148/4885MTNR1B 2673/4885KMT2A 1218/4885
US-20070105840-A1 Pyrrolo-dihydroisoquinoline derivatives as pde10 inhibitors PDE12, PDE2A, PDE5A MTNR1A 3574/4885MTNR1B 3328/4885KMT2A 1870/4885

“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.