SCHEMBL612993

SCHEMBL612993

COc1ccc2c(c1OC)CC(c1ccccc1)C(CC1=NC(C)(C)CO1)C2C#N

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.31
MAOB P27338 2/20 0.31
MAOA P21397 1/20 0.31

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
SCHEMBL612994 1.00 KDM1A (0.31) KDM1AMAOBMAOA
SCHEMBL610523 0.85 KDM1A (0.32) KDM1AMAOBMAOA
SCHEMBL610522 0.85 KDM1A (0.32) KDM1AMAOBMAOA
SCHEMBL612728 0.78 PARP1 (0.33) KDM1AMAOBMAOA
SCHEMBL612727 0.78 PARP1 (0.33) KDM1AMAOBMAOA
SCHEMBL612726 0.78 PARP1 (0.33) KDM1AMAOBMAOA
SCHEMBL7304489 0.66 KDM1A (0.39) KDM1AMAOBMAOA
SCHEMBL610459 0.65 PARP1 (0.33) KDM1AMAOBMAOA
SCHEMBL610458 0.65 PARP1 (0.33) KDM1AMAOBMAOA
SCHEMBL611020 0.65 PARP1 (0.33) KDM1AMAOBMAOA

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.