SCHEMBL610522

SCHEMBL610522

COc1ccc2c(c1OC)CC(c1ccccc1)C(CC1=NC(C)(C)CO1)C2CN

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.32
MAOB P27338 2/20 0.32
MAOA P21397 1/20 0.32
HTR2C P28335 2/20 0.31
ADRA1A P35348 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2B P41595 1/20 0.31
EIF4A1 P60842 1/20 0.30

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
SCHEMBL610523 1.00 KDM1A (0.32) KDM1AMAOBMAOAHTR2CADRA1A
SCHEMBL612993 0.85 KDM1A (0.31) KDM1AMAOBMAOA
SCHEMBL612994 0.85 KDM1A (0.31) KDM1AMAOBMAOA
SCHEMBL9039255 0.78 KDM1A (0.37) KDM1AMAOBMAOAHTR2CADRA1A
SCHEMBL9040240 0.78 KDM1A (0.37) KDM1AMAOBMAOAHTR2CADRA1A
SCHEMBL7439138 0.78 KDM1A (0.36) KDM1AMAOBMAOAHTR2CADRA1A
SCHEMBL7439134 0.78 KDM1A (0.36) KDM1AMAOBMAOAHTR2CADRA1A
SCHEMBL611020 0.77 PARP1 (0.33) KDM1AMAOBMAOAHTR2A
SCHEMBL610459 0.77 PARP1 (0.33) KDM1AMAOBMAOAHTR2A
SCHEMBL610458 0.77 PARP1 (0.33) KDM1AMAOBMAOAHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9359303-B2 Octahydrobenzoisoquinoline modulators of dopamine receptors and uses therefor PURDUE RESEARCH FOUNDATION (US) 2016-06-07 US disclosed
EP-2421862-B1 OCTAHYDROBENZOISOQUINOLINE MODULATORS OF DOPAMINE RECEPTORS AND USES THEREFOR PURDUE RESEARCH FOUNDATION (US) 2014-06-11 EP disclosed
US-20120041018-A1 OCTAHYDROBENZOISOQUINOLINE MODULATORS OF DOPAMINE RECEPTORS AND USES THEREFOR PURDUE RESEARCH FOUNDATION (US) 2012-02-16 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 (1 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-20120041018-A1 OCTAHYDROBENZOISOQUINOLINE MODULATORS OF DOPAMINE RECEPTORS AND USES THEREFOR DBH, SLC6A3, SLC18A2 KDM1A 3230/4885MAOB 112/4885MAOA 222/4885

“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.