SCHEMBL2812581

SCHEMBL2812581

COC(=O)C(=Cc1ccc(Br)cc1)C(=O)OC

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.67
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
LMNA P02545 2/20 0.67
NPSR1 Q6W5P4 2/20 0.67
S1PR4 O95977 1/20 0.67
S1PR1 P21453 1/20 0.67
MAPK1 P28482 1/20 0.67
HPGD P15428 1/20 0.62
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL10353050 0.91 MAPT (0.57) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL13552273 0.90 MAPT (0.56) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL4217444 0.85 MAPT (0.53) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL1675546 0.83 MAPT (0.51) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL4217442 0.83 MAPT (0.51) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL4217436 0.83 MAPT (0.51) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL3519645 0.82 KDM4E (0.62) MAPTHPGD
SCHEMBL8138421 0.82 MAPT (0.50) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL77732 0.82 MEN1 (0.63) MAPTMEN1KMT2ANPSR1HPGD
SCHEMBL9254147 0.82 MAPT (0.55) MAPTMEN1KMT2ALMNANPSR1

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 MAPT 708/4885MEN1 3014/4885KMT2A 1059/4885
US-20100240648-A1 HEXAHYDRO-PYRROLO-ISOQUINOLINE COMPOUNDS HRH3, HRH1, HRH4 MAPT 708/4885MEN1 3014/4885KMT2A 1059/4885
US-20120321559-A1 HEXAHYDRO-PYRROLO-ISOQUINOLINE COMPOUNDS HRH3, HRH1, HRH4 MAPT 708/4885MEN1 3014/4885KMT2A 1059/4885

“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.