SCHEMBL1077295

SCHEMBL1077295

Cn1cc(-c2c(C#N)c3ccccc3n2-c2ccc(O)c(Cl)c2)cn1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 6/20 0.39
CYP11B1 P15538 1/20 0.39
MAOA P21397 1/20 0.39
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
FASN P49327 1/20 0.37
GRM2 Q14416 1/20 0.34
AR P10275 1/20 0.34
SMARCA2 P51531 1/20 0.34
SMARCA4 P51532 1/20 0.34
PDE10A Q9Y233 1/20 0.34
BCL6 P41182 1/20 0.34
PIK3CA P42336 1/20 0.33
KCNJ5 P48544 1/20 0.33
KCNJ3 P48549 1/20 0.33
USP2 O75604 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BRD4 O60885 1/20 0.33

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
SCHEMBL1076688 0.88 CYP11B2 (0.39) CYP11B2CYP11B1MAOAGRM2AR
SCHEMBL1076522 0.85 CYP11B2 (0.44) CYP11B2CYP11B1MAOAGRM2PDE10A
SCHEMBL1039081 0.84 ALDH1A1 (0.40) CYP11B2CYP11B1MAOAL3MBTL1
SCHEMBL1078135 0.82 CYP11B2 (0.40) CYP11B2CYP11B1MAOAL3MBTL1
SCHEMBL1074996 0.82 CYP11B2 (0.41) CYP11B2CYP11B1MAOAFASNGRM2
SCHEMBL1036537 0.78 ADORA1 (0.33) CYP11B2ARUSP2HSD17B10L3MBTL1
SCHEMBL1077062 0.78 ESR1 (0.38) CYP11B2CYP11B1MAOAARUSP2
SCHEMBL1077582 0.75 HSD17B10 (0.34) CYP11B2ARUSP2HSD17B10L3MBTL1
SCHEMBL1036443 0.75 MAOA (0.40) MAOAHSD17B10L3MBTL1
SCHEMBL1077729 0.75 L3MBTL1 (0.35) CYP11B2ARUSP2HSD17B10L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9974776-B2 Estrogen receptor beta agonists for use in treating mesothelioma OASMIA PHARMACEUTICAL AB (SE) 2018-05-22 US claimed
US-20160303087-A1 Estrogen Receptor Beta Agonists for Use in Treating Mesothelioma OASMIA PHARMACEUTICAL AB (SE) 2016-10-20 US claimed
EP-3076964-A1 ESTROGEN RECEPTOR BETA AGONISTS FOR USE IN TREATING MESOTHELIOMA Karo Pharma AB (SE) 2016-10-12 EP claimed
WO-2016050945-A1 PHARMACEUTICAL COMBINATIONS COMPRISING ESTROGEN RECEPTOR-BETA AGONISTS WITH PLATINUM DRUGS OR PACLITAXEL FOR TREATING OVARIAN CANCER KARO BIO AB (SE) 2016-04-07 WO claimed
WO-2015082643-A1 ESTROGEN RECEPTOR BETA AGONISTS FOR USE IN TREATING MESOTHELIOMA KARO BIO AB (SE) 2015-06-11 WO claimed
EP-2276732-B1 NOVEL ESTROGEN RECEPTOR LIGANDS KAROBIO AB (SE) 2015-05-20 EP claimed
US-8653072-B2 Estrogen receptor ligands KARO BIO AB (SE) 2014-02-18 US claimed
US-20130131061-A1 Novel Estrogen Receptor Ligands KARO BIO AB (SE) 2013-05-23 US claimed
US-8367665-B2 Estrogen receptor ligands KARO BIO AB (SE) 2013-02-05 US claimed
US-20110190294-A1 NOVEL ESTROGEN RECEPTOR LIGANDS OASMIA PHARMACEUTICAL AB (SE) 2011-08-04 US claimed
US-9974776-B2 Estrogen receptor beta agonists for use in treating mesothelioma OASMIA PHARMACEUTICAL AB (SE) 2018-05-22 US disclosed
US-20160303087-A1 Estrogen Receptor Beta Agonists for Use in Treating Mesothelioma OASMIA PHARMACEUTICAL AB (SE) 2016-10-20 US disclosed
EP-2276732-B1 NOVEL ESTROGEN RECEPTOR LIGANDS KAROBIO AB (SE) 2015-05-20 EP disclosed
US-8653072-B2 Estrogen receptor ligands KARO BIO AB (SE) 2014-02-18 US disclosed
US-20130131061-A1 Novel Estrogen Receptor Ligands KARO BIO AB (SE) 2013-05-23 US disclosed
US-8367665-B2 Estrogen receptor ligands KARO BIO AB (SE) 2013-02-05 US disclosed
US-20110190294-A1 NOVEL ESTROGEN RECEPTOR LIGANDS OASMIA PHARMACEUTICAL AB (SE) 2011-08-04 US disclosed
EP-2276732-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-01-26 EP disclosed
WO-2009127686-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2009-10-22 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-20160303087-A1 Estrogen Receptor Beta Agonists for Use in Treating Mesothelioma GPER1, ESR2, ESRRG CYP11B2 1188/4885CYP11B1 929/4885MAOA 3803/4885
US-20130131061-A1 Novel Estrogen Receptor Ligands ESR1, GPER1, ESRRA CYP11B2 886/4885CYP11B1 591/4885MAOA 4402/4885
US-20110190294-A1 NOVEL ESTROGEN RECEPTOR LIGANDS ESR1, GPER1, ESRRA CYP11B2 840/4885CYP11B1 546/4885MAOA 4396/4885

“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.