SCHEMBL2807082

SCHEMBL2807082

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

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 12/20 0.55
MTNR1B P49286 12/20 0.55
BCHE P06276 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
MME P08473 1/20 0.43

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
SCHEMBL2807081 1.00 MTNR1A (0.55) MTNR1AMTNR1BBCHEMEN1KMT2A
SCHEMBL2811210 0.81 MTNR1A (0.49) MTNR1AMTNR1BKMT2ATDP1
SCHEMBL2807158 0.80 MTNR1A (0.53) MTNR1AMTNR1BKMT2A
SCHEMBL6259991 0.75 SLC1A2 (0.56) BCHEMEN1KMT2A
SCHEMBL6301200 0.73 MTNR1A (0.67) MTNR1AMTNR1BMEN1KMT2ATDP1
SCHEMBL2806820 0.73 HTR2A (0.62) MTNR1AMTNR1B
SCHEMBL7408317 0.73 MTNR1A (0.51) MTNR1AMTNR1BBCHETDP1
SCHEMBL2807555 0.71 L3MBTL1 (0.46) MTNR1AMTNR1B
SCHEMBL9114227 0.71 TACR1 (0.61) MTNR1AMTNR1BBCHEMEN1KMT2A
SCHEMBL3904574 0.71 MTNR1A (0.59) MTNR1AMTNR1BBCHEMEN1KMT2A

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 5 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
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 107/4885BCHE 773/4885
US-20100240648-A1 HEXAHYDRO-PYRROLO-ISOQUINOLINE COMPOUNDS HRH3, HRH1, HRH4 MTNR1A 132/4885MTNR1B 107/4885BCHE 773/4885
US-20120321559-A1 HEXAHYDRO-PYRROLO-ISOQUINOLINE COMPOUNDS HRH3, HRH1, HRH4 MTNR1A 132/4885MTNR1B 107/4885BCHE 773/4885

“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.