SCHEMBL940506

SCHEMBL940506

CCOC(=O)N1CCc2c(oc(N)c2C#N)C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.61
GAA P10253 3/20 0.61
KDM4E B2RXH2 3/20 0.61
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 5/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
HSD17B10 Q99714 3/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
BPTF Q12830 1/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.39
ADORA1 P30542 1/20 0.39
RXFP1 Q9HBX9 3/20 0.37
CYP1A2 P05177 1/20 0.36

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
SCHEMBL12908936 0.84 ADORA1 (0.46) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL937742 0.82 BPTF (0.42) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL938597 0.78 MAPT (0.47) MAPTGAAKDM4EL3MBTL1ALDH1A1
SCHEMBL938596 0.78 MAPT (0.47) MAPTGAAKDM4EL3MBTL1ALDH1A1
SCHEMBL3347382 0.76 MAPT (1.00) MAPTGAAKDM4EL3MBTL1ALDH1A1
SCHEMBL7407970 0.68 MAPT (0.43) MAPTGAAKDM4EALDH1A1HPGD
SCHEMBL2840772 0.66 LMNA (0.40) MAPTGAAKDM4EL3MBTL1ALDH1A1
SCHEMBL4420852 0.65 GRM5 (0.55) MAPTGAAKDM4EL3MBTL1ALDH1A1
SCHEMBL4420849 0.65 GRM5 (0.55) MAPTGAAKDM4EL3MBTL1ALDH1A1
SCHEMBL73051 0.65 DRD2 (0.46) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524722-B2 Substituted tricyclic compounds and methods of use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-09-03 US disclosed
US-8524722-B2 Substituted tricyclic compounds and methods of use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-09-03 US disclosed
EP-2212332-B1 SUBSTITUTED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF BAYER IP GMBH (DE) 2012-10-24 EP disclosed
EP-2212332-B1 SUBSTITUTED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF BAYER IP GMBH (DE) 2012-10-24 EP disclosed
US-20110021493-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-27 US disclosed
US-20110021493-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-27 US disclosed
US-20110021493-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-27 US disclosed
EP-2212332-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2010-08-04 EP disclosed
WO-2009033581-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-03-19 WO disclosed
WO-2009033581-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-03-19 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 (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-20110021493-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF CYP11B2, CYP11B1, CYP11A1 MAPT 2421/4885GAA 247/4885KDM4E 2007/4885

“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.