SCHEMBL2809146

SCHEMBL2809146

CSc1ccc(C(O)C(=O)N2CCCC2c2ccc(Br)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
RIPK1 Q13546 1/20 0.38
SCD5 Q86SK9 2/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
SLC6A4 P31645 2/20 0.37
MAPT P10636 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
DPP4 P27487 2/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
ADAM17 P78536 1/20 0.36
ROCK2 O75116 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL2810568 0.87 ROCK2 (0.42) RIPK1SCD5HCRTR1HCRTR2DPP4
SCHEMBL2809270 0.79 ADAM17 (0.50) SCD5HCRTR1HCRTR2ADAM17ROCK2
SCHEMBL17453078 0.78 RIPK1 (0.47) CCNCCDK8RIPK1SCD5DPP4
SCHEMBL2807356 0.76 ADAM17 (0.51) SCD5ADAM17ROCK2
SCHEMBL9288463 0.75 RIPK1 (0.54) CCNCCDK8RIPK1ADAM17
SCHEMBL1423483 0.73 RIPK1 (0.50) CCNCCDK8RIPK1SCD5
SCHEMBL29515757 0.73 RIPK1 (0.50) CCNCCDK8RIPK1SCD5
SCHEMBL13300490 0.73 RIPK1 (0.50) CCNCCDK8RIPK1SCD5
SCHEMBL28844538 0.73 CCNC (0.51) CCNCCDK8RIPK1SCD5
SCHEMBL16400479 0.72 RIPK1 (0.47) RIPK1SLC6A4MAPTSLC6A2SLC6A3

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 CCNC 4150/4885CDK8 3204/4885RIPK1 1238/4885
US-20100240648-A1 HEXAHYDRO-PYRROLO-ISOQUINOLINE COMPOUNDS HRH3, HRH1, HRH4 CCNC 4150/4885CDK8 3204/4885RIPK1 1238/4885
US-20120321559-A1 HEXAHYDRO-PYRROLO-ISOQUINOLINE COMPOUNDS HRH3, HRH1, HRH4 CCNC 4150/4885CDK8 3204/4885RIPK1 1238/4885

“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.