SCHEMBL459537

SCHEMBL459537

c1ccc2c(c1)CCC(NC1CC1)C2

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 7/20 0.65
MTNR1A P48039 4/20 0.56
MTNR1B P49286 4/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.54
SIGMAR1 Q99720 1/20 0.50
PLAU P00749 1/20 0.50

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
SCHEMBL433595 0.87 GRIN2B (0.52) GRIN2BMTNR1AMTNR1BCA1CA2
SCHEMBL3311200 0.85 GRIN2B (0.50) GRIN2BMTNR1AMTNR1BCA1CA2
SCHEMBL20061121 0.82 GRIN2B (0.51) GRIN2BMTNR1AMTNR1BCA1CA2
SCHEMBL20061158 0.82 GRIN2B (0.51) GRIN2BMTNR1AMTNR1BCA1CA2
SCHEMBL8859323 0.82 MTNR1A (0.48) GRIN2BMTNR1AMTNR1BCA1CA2
SCHEMBL6589968 0.79 CA1 (0.52) GRIN2BMTNR1AMTNR1BCA1CA2
SCHEMBL4606877 0.79 MTNR1A (0.61) GRIN2BMTNR1AMTNR1BCA1CA2
SCHEMBL823055 0.79 MTNR1A (0.61) GRIN2BMTNR1AMTNR1BCA1CA2
SCHEMBL823057 0.79 MTNR1A (0.61) GRIN2BMTNR1AMTNR1BCA1CA2
SCHEMBL7838746 0.79 MTNR1A (0.61) GRIN2BMTNR1AMTNR1BCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3181550-B1 BENZOCYCLOALKENES AS ANTIFUNGAL AGENTS BAYER IP GMBH (DE) 2019-11-20 EP claimed
US-10093611-B2 Benzocycloalkenes as antifungal agents BAYER INTELLECTUAL PROPERTY GMBH (DE) 2018-10-09 US claimed
EP-3181550-A1 BENZOCYCLOALKENES AS ANTIFUNGAL AGENTS Bayer Intellectual Property GmbH (DE) 2017-06-21 EP claimed
US-20160023987-A1 BENZOCYCLOALKENES AS ANTIFUNGAL AGENTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-28 US claimed
EP-2595961-A2 BENZOCYCLOALKENES AS ANTIFUNGAL AGENTS Bayer Intellectual Property GmbH (DE) 2013-05-29 EP claimed
US-20130123322-A1 BENZOCYCLOALKENES AS ANTIFUNGAL AGENTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-16 US claimed
WO-2012010579-A2 BENZOCYCLOALKENES AS ANTIFUNGAL AGENTS BAYER CROPSCIENCE AG (DE) 2012-01-26 WO claimed
EP-3181550-B1 BENZOCYCLOALKENES AS ANTIFUNGAL AGENTS BAYER IP GMBH (DE) 2019-11-20 EP disclosed
US-10093611-B2 Benzocycloalkenes as antifungal agents BAYER INTELLECTUAL PROPERTY GMBH (DE) 2018-10-09 US disclosed
EP-3181550-A1 BENZOCYCLOALKENES AS ANTIFUNGAL AGENTS Bayer Intellectual Property GmbH (DE) 2017-06-21 EP disclosed
US-20160023987-A1 BENZOCYCLOALKENES AS ANTIFUNGAL AGENTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-28 US disclosed
US-9173399-B2 Benzocycloalkenes as antifungal agents BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-03 US disclosed
EP-2595961-A2 BENZOCYCLOALKENES AS ANTIFUNGAL AGENTS Bayer Intellectual Property GmbH (DE) 2013-05-29 EP disclosed
US-20130123322-A1 BENZOCYCLOALKENES AS ANTIFUNGAL AGENTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-16 US disclosed
WO-2012010579-A2 BENZOCYCLOALKENES AS ANTIFUNGAL AGENTS BAYER CROPSCIENCE AG (DE) 2012-01-26 WO 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-20160023987-A1 BENZOCYCLOALKENES AS ANTIFUNGAL AGENTS CYP51A1, ERG28, CBR1 GRIN2B 2374/4885MTNR1A 3342/4885MTNR1B 3234/4885
US-10093611-B2 Benzocycloalkenes as antifungal agents CYP51A1, ERG28, CBR1 GRIN2B 2374/4885MTNR1A 3342/4885MTNR1B 3234/4885
US-20130123322-A1 BENZOCYCLOALKENES AS ANTIFUNGAL AGENTS CYP51A1, ERG28, CBR1 GRIN2B 2374/4885MTNR1A 3342/4885MTNR1B 3234/4885

“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.