SCHEMBL3397210

SCHEMBL3397210

COC(=O)CCc1ccc2n1CCc1ccccc1-2

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.48
NOTUM Q6P988 1/20 0.47
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RCE1 Q9Y256 1/20 0.43
CYP11B1 P15538 3/20 0.42
CYP11B2 P19099 3/20 0.42
MTNR1A P48039 9/20 0.40
MTNR1B P49286 9/20 0.40
TSHR P16473 1/20 0.38
USP2 O75604 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL3395760 0.75 KDM4E (0.39) HDAC1KDM4EMTNR1AMTNR1BPKM
SCHEMBL8886549 0.73 MTNR1A (0.53) NOTUMKMT2AALDH1A1KDM4EHSD17B10
SCHEMBL216474 0.72 BRD4 (0.42) NOTUMMEN1KMT2AALDH1A1KDM4E
SCHEMBL3397206 0.71 MTNR1A (0.39) MEN1KMT2AALDH1A1KDM4EMTNR1A
SCHEMBL15690244 0.70 AOC3 (0.56) NOTUMMEN1KMT2AKDM4ETSHR
SCHEMBL2517925 0.68 MTNR1A (0.41) HDAC1MEN1KMT2AGAAMTNR1A
SCHEMBL31105304 0.68 SRD5A1 (0.41) HDAC1NOTUMMEN1KMT2AALDH1A1
SCHEMBL2736495 0.68 ALDH1A1 (0.45) MEN1KMT2AALDH1A1KDM4EGLA
SCHEMBL1158808 0.67 BCAT2 (0.46) HDAC1NOTUMMEN1KMT2AKDM4E
SCHEMBL23099758 0.67 AOC3 (0.55) NOTUMKDM4ETSHR

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-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 HDAC1 231/4885NOTUM 2151/4885MEN1 3402/4885
US-20070105840-A1 Pyrrolo-dihydroisoquinoline derivatives as pde10 inhibitors PDE12, PDE2A, PDE5A HDAC1 104/4885NOTUM 2379/4885MEN1 2342/4885

“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.