SCHEMBL2807802

SCHEMBL2807802

COC(=O)c1cccc(OC2CCNCC2)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.55
HRH1 P35367 2/20 0.51
WNT1 P04628 2/20 0.47
GSK3B P49841 2/20 0.47
DYRK1A Q13627 2/20 0.47
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
OPRK1 P41145 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
KAT6A Q92794 1/20 0.44
NMT1 P30419 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
Hydrochloric Acid SCHEMBL14127514 0.99 EPHX2 (0.54) EPHX2HRH1WNT1GSK3BDYRK1A
SCHEMBL18586026 0.92 EPHX2 (0.50) EPHX2HRH1TP53SMN1; SMN2OPRK1
SCHEMBL757876 0.90 EPHX2 (0.63) EPHX2TP53SMN1; SMN2OPRK1L3MBTL1
SCHEMBL31719234 0.90 EPHX2 (0.63) EPHX2TP53SMN1; SMN2OPRK1L3MBTL1
SCHEMBL20919714 0.87 EPHX2 (0.58) EPHX2TP53SMN1; SMN2OPRK1KAT6A
SCHEMBL12167864 0.86 HRH1 (0.54) EPHX2HRH1WNT1GSK3BDYRK1A
SCHEMBL4254407 0.86 EPHX2 (0.57) EPHX2TP53SMN1; SMN2OPRK1KAT6A
Hydrochloric Acid SCHEMBL1808503 0.84 HRH1 (0.53) EPHX2HRH1WNT1GSK3BDYRK1A
SCHEMBL17573001 0.84 HRH1 (0.60) EPHX2HRH1WNT1GSK3BDYRK1A
SCHEMBL17100273 0.83 EPHX2 (0.55) EPHX2TP53SMN1; SMN2OPRK1L3MBTL1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2610258-A1 Substituted piperidino dihydrothieno pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-03 EP disclosed
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 EPHX2 1891/4885HRH1 2/4885WNT1 4585/4885
US-20100240648-A1 HEXAHYDRO-PYRROLO-ISOQUINOLINE COMPOUNDS HRH3, HRH1, HRH4 EPHX2 1891/4885HRH1 2/4885WNT1 4585/4885
US-20120321559-A1 HEXAHYDRO-PYRROLO-ISOQUINOLINE COMPOUNDS HRH3, HRH1, HRH4 EPHX2 1891/4885HRH1 2/4885WNT1 4585/4885

“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.