SCHEMBL2810399

SCHEMBL2810399

CCOC(=O)C(C(=O)OCC)C(c1ccc(Br)cc1)c1cccc(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
IGF1R P08069 1/20 0.41
ELANE P08246 1/20 0.41
MTNR1B P49286 4/20 0.41
MTNR1A P48039 3/20 0.41
MAOB P27338 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.39
HPGD P15428 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
SCHEMBL2807555 0.85 L3MBTL1 (0.46) L3MBTL1TSHRIGF1RMTNR1BMTNR1A
SCHEMBL2810406 0.81 AKR1C3 (0.39) L3MBTL1ALDH1A1TDP1IGF1RMTNR1B
SCHEMBL2178503 0.78 L3MBTL1 (0.54) L3MBTL1ALDH1A1TSHRMAPK1TDP1
SCHEMBL31059196 0.77 L3MBTL1 (0.55) L3MBTL1ALDH1A1TSHRMAPK1TDP1
SCHEMBL13522787 0.77 L3MBTL1 (0.53) L3MBTL1ALDH1A1TSHRMAPK1TDP1
SCHEMBL1433326 0.77 L3MBTL1 (0.56) L3MBTL1ALDH1A1TSHRMAPK1TDP1
SCHEMBL31198082 0.76 L3MBTL1 (0.52) L3MBTL1ALDH1A1TSHRMAPK1TDP1
SCHEMBL31198051 0.76 L3MBTL1 (0.52) L3MBTL1ALDH1A1TSHRMAPK1TDP1
SCHEMBL3918115 0.76 L3MBTL1 (0.55) L3MBTL1ALDH1A1TSHRMAPK1TDP1
SCHEMBL6598474 0.75 IGF1R (0.50) L3MBTL1TSHRMAPK1IGF1RMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120321559-A1 HEXAHYDRO-PYRROLO-ISOQUINOLINE COMPOUNDS APODACA RICHARD (US) 2012-12-20 US disclosed
US-8273762-B2 Hexahydro-pyrrolo-isoquinoline compounds JANSSEN PHARMACEUTICA NV (BE) 2012-09-25 US disclosed
US-20100240648-A1 HEXAHYDRO-PYRROLO-ISOQUINOLINE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2010-09-23 US disclosed
US-7754882-B2 Hexahydro-pyrrolo-isoquinoline compounds JANSSEN PHARMACEUTICA NV (BE) 2010-07-13 US disclosed
EP-1893613-A1 HEXAHYDRO-PYRROLO-ISOQUINOLINE COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-05 EP disclosed
WO-2006138604-A1 HEXAHYDRO-PYRROLO-ISOQUINOLINE COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-28 WO disclosed
US-20060293316-A1 HEXAHYDRO-PYRROLO-ISOQUINOLINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-28 US 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-20060293316-A1 HEXAHYDRO-PYRROLO-ISOQUINOLINE COMPOUNDS HRH3, HRH1, HRH4 L3MBTL1 3984/4885ALDH1A1 2155/4885TSHR 360/4885
US-20100240648-A1 HEXAHYDRO-PYRROLO-ISOQUINOLINE COMPOUNDS HRH3, HRH1, HRH4 L3MBTL1 3984/4885ALDH1A1 2155/4885TSHR 360/4885
US-20120321559-A1 HEXAHYDRO-PYRROLO-ISOQUINOLINE COMPOUNDS HRH3, HRH1, HRH4 L3MBTL1 3984/4885ALDH1A1 2155/4885TSHR 360/4885

“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.