SCHEMBL2807555

SCHEMBL2807555

COc1cccc(C(c2ccc(Br)cc2)C(C(=O)O)C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
MTNR1A P48039 3/20 0.44
MTNR1B P49286 3/20 0.44
IGF1R P08069 1/20 0.43
AKR1C3 P42330 3/20 0.42
AKR1C2 P52895 3/20 0.42
PTGS1 P23219 3/20 0.42
PTGS2 P35354 3/20 0.42
MAOB P27338 1/20 0.42
CDC42 P60953 1/20 0.42
RAC1 P63000 1/20 0.42
CYP1A2 P05177 1/20 0.42
TSHR P16473 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
PTGFR P43088 2/20 0.41

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
SCHEMBL2810406 0.86 AKR1C3 (0.39) L3MBTL1MTNR1AMTNR1BIGF1RAKR1C3
SCHEMBL2810399 0.85 L3MBTL1 (0.46) L3MBTL1MTNR1AMTNR1BIGF1RMAOB
SCHEMBL6598474 0.80 IGF1R (0.50) L3MBTL1IGF1RMAOBTSHR
SCHEMBL2807158 0.79 MTNR1A (0.53) L3MBTL1MTNR1AMTNR1BPTGFR
SCHEMBL27926053 0.77 L3MBTL1 (0.54) L3MBTL1MTNR1AMTNR1BPTGS1
SCHEMBL29531014 0.77 L3MBTL1 (0.54) L3MBTL1MTNR1AMTNR1BPTGS1
SCHEMBL7856720 0.76 MTNR1A (0.46) L3MBTL1MTNR1AMTNR1BPTGS1
SCHEMBL7688670 0.76 L3MBTL1 (0.54) L3MBTL1MTNR1AMTNR1BPTGS1
SCHEMBL2882507 0.75 L3MBTL1 (0.47) L3MBTL1MTNR1AMTNR1BAKR1C3AKR1C2
SCHEMBL9765684 0.75 L3MBTL1 (0.55) L3MBTL1MTNR1AMTNR1BPTGS1

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 3984/4885MTNR1A 132/4885MTNR1B 107/4885
US-20100240648-A1 HEXAHYDRO-PYRROLO-ISOQUINOLINE COMPOUNDS HRH3, HRH1, HRH4 L3MBTL1 3984/4885MTNR1A 132/4885MTNR1B 107/4885
US-20120321559-A1 HEXAHYDRO-PYRROLO-ISOQUINOLINE COMPOUNDS HRH3, HRH1, HRH4 L3MBTL1 3984/4885MTNR1A 132/4885MTNR1B 107/4885

“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.