SCHEMBL2807158

SCHEMBL2807158

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

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.53
MTNR1B P49286 4/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
KMT2A Q03164 1/20 0.51
CTSA P10619 1/20 0.50
FFAR1 O14842 4/20 0.49
LMNA P02545 1/20 0.47
PTGFR P43088 3/20 0.46
POLB P06746 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
SCHEMBL9393589 0.90 L3MBTL1 (0.60) MTNR1AMTNR1BL3MBTL1KMT2ACTSA
SCHEMBL2806820 0.81 HTR2A (0.62) MTNR1AMTNR1BL3MBTL1
SCHEMBL2807081 0.80 MTNR1A (0.55) MTNR1AMTNR1BKMT2A
SCHEMBL2807082 0.80 MTNR1A (0.55) MTNR1AMTNR1BKMT2A
SCHEMBL18228832 0.80 HTR2A (0.57) KMT2AFFAR1LMNA
SCHEMBL6778523 0.80 OPRD1 (0.60)
SCHEMBL5858110 0.79 L3MBTL1 (0.59) MTNR1AMTNR1BL3MBTL1CTSAFFAR1
SCHEMBL2807555 0.79 L3MBTL1 (0.46) MTNR1AMTNR1BL3MBTL1PTGFR
SCHEMBL28489153 0.79 FFAR1 (0.61) L3MBTL1KMT2AFFAR1LMNA
SCHEMBL6306108 0.78 MTNR1A (0.63) MTNR1AMTNR1BL3MBTL1

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

“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.