SCHEMBL433595

SCHEMBL433595

c1ccc2c(c1)CC(NC1CC1)C2

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 5/20 0.52
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
MTNR1A P48039 3/20 0.44
MTNR1B P49286 3/20 0.44
KDM1A O60341 4/20 0.43
KDM1B Q8NB78 2/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
IDO1 P14902 1/20 0.42
PLAU P00749 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL6589968 0.92 CA1 (0.52) GRIN2BCA1CA2MTNR1AMTNR1B
SCHEMBL1019088 0.89 KDM1A (0.57) GRIN2BKDM1AKDM1BMAOAMAOB
SCHEMBL459537 0.87 GRIN2B (0.65) GRIN2BCA1CA2MTNR1AMTNR1B
SCHEMBL20061143 0.79 CA1 (0.42) GRIN2BCA1CA2MTNR1AMTNR1B
SCHEMBL20061120 0.79 CA1 (0.42) GRIN2BCA1CA2MTNR1AMTNR1B
SCHEMBL461002 0.76 TP53 (0.45) GRIN2BSIGMAR1
SCHEMBL1015075 0.76 KDM1A (0.63) MTNR1AMTNR1BKDM1AMAOB
SCHEMBL1015074 0.76 KDM1A (0.63) MTNR1AMTNR1BKDM1AMAOB
SCHEMBL3311200 0.72 GRIN2B (0.50) GRIN2BCA1CA2MTNR1AMTNR1B
SCHEMBL714537 0.72 SIGMAR1 (0.53) GRIN2BCA1CA2MTNR1AMTNR1B

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 2374/4885CA1 3625/4885CA2 1375/4885
US-10093611-B2 Benzocycloalkenes as antifungal agents CYP51A1, ERG28, CBR1 GRIN2B 2374/4885CA1 3625/4885CA2 1375/4885
US-20130123322-A1 BENZOCYCLOALKENES AS ANTIFUNGAL AGENTS CYP51A1, ERG28, CBR1 GRIN2B 2374/4885CA1 3625/4885CA2 1375/4885

“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.