SCHEMBL3369957

SCHEMBL3369957

O=S(=O)(Nc1cc[c]cc1)N1CCOCC1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.67
FKBP1A P62942 4/20 0.45
GLA P06280 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 2/20 0.41
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL1853129 0.83 POLB (0.71) POLBFKBP1AGLAKMT2AHSD17B10
SCHEMBL3973348 0.80 POLB (0.71) POLBFKBP1AGLAKMT2AHSD17B10
SCHEMBL15139607 0.80 POLB (0.71) POLBFKBP1AGLAKMT2AHSD17B10
SCHEMBL6613032 0.80 POLB (0.71) POLBFKBP1AGLAKMT2AHSD17B10
SCHEMBL3439600 0.80 POLB (0.66) POLBFKBP1AGLAKMT2AHSD17B10
SCHEMBL10048553 0.76 POLB (0.66) POLBFKBP1AGLAKMT2AALDH1A1
SCHEMBL27830860 0.76 POLB (0.66) POLBKMT2AHSD17B10ALDH1A1L3MBTL1
SCHEMBL8724983 0.76 POLB (0.70) POLBFKBP1AGLAKMT2AHSD17B10
SCHEMBL31634184 0.74 POLB (0.62) POLBKMT2AHSD17B10ALDH1A1
SCHEMBL391396 0.74 POLB (0.68) POLBKMT2AHSD17B10ALDH1A1L3MBTL1

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 15 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 claimed
CN-1809564-A Pyrrolodihydroisoquinolines useful as PDE10 inhibitors ALTANA PHARMA AG (DE) 2006-07-26 CN claimed
US-20060148840-A1 Pyrrolodihydroisoquinolines as pde10 inhibitors ALTANA PHARMA AG (DE) 2006-07-06 US claimed
EP-1641792-A1 PYRROLODIHYDROISOQUINOLINES AS PDE10 INHIBITORS ALTANA Pharma AG (DE) 2006-04-05 EP claimed
WO-2005003129-A1 PYRROLODIHYDROISOQUINOLINES AS PDE10 INHIBITORS ALTANA PHARMA AG (DE) 2005-01-13 WO claimed
CN-103339132-A Novel purinylpyridinylamino-2,4-difluorophenyl sulfonamide derivative, pharmaceutically acceptable salt thereof, preparation method thereof, and pharmaceutical composition with inhibitory activity against raf kinase, containing same as active ingredi YOUAI CO LTD 2013-10-02 CN disclosed
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
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
US-20070105840-A1 Pyrrolo-dihydroisoquinoline derivatives as pde10 inhibitors ALTANA PHARMA AG (DE) 2007-05-10 US disclosed
CN-1809564-A Pyrrolodihydroisoquinolines useful as PDE10 inhibitors ALTANA PHARMA AG (DE) 2006-07-26 CN 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
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 (3 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 POLB 1637/4885FKBP1A 712/4885GLA 2711/4885
US-20080161338-A1 Novel Pyrrolodihydroisoquinolines as Pde 10 Inhibitors PDE12, PDE5A, PDE3A POLB 1782/4885FKBP1A 801/4885GLA 2826/4885
US-20070105840-A1 Pyrrolo-dihydroisoquinoline derivatives as pde10 inhibitors PDE12, PDE2A, PDE5A POLB 481/4885FKBP1A 308/4885GLA 1273/4885

“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.