SCHEMBL3027732

SCHEMBL3027732

CC1(C)Oc2cc(N)ccc2C(c2ccc(F)cc2)=C1F

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.34
PGR P06401 2/20 0.34
NR3C2 P08235 2/20 0.34
NR3C1 P04150 1/20 0.34
TDO2 P48775 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
HASPIN Q8TF76 1/20 0.33
APP P05067 1/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
GFER P55789 1/20 0.31
MAOB P27338 1/20 0.30
MAPK14 Q16539 1/20 0.30
LPL P06858 1/20 0.30
LIPG Q9Y5X9 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL3030374 0.87 PGR (0.33) DGAT1PGRNR3C2NR3C1TDO2
SCHEMBL14666727 0.84 NR3C1 (0.32) DGAT1PGRNR3C2NR3C1TDO2
SCHEMBL3027436 0.83 NPC1 (0.43) PGRNR3C2NR3C1KDM4EMAPK14
SCHEMBL3025613 0.83 MAPT (0.38) DGAT1PGRNR3C2NR3C1CCNC
SCHEMBL3028048 0.83 NR3C1 (0.31) DGAT1PGRNR3C2NR3C1TDO2
SCHEMBL3016984 0.82 CCNC (0.36) PGRNR3C2NR3C1CCNCCDK8
SCHEMBL3012124 0.82 CCNC (0.40) PGRNR3C2NR3C1CCNCCDK8
SCHEMBL3016961 0.82 PGR (0.33) DGAT1PGRNR3C2NR3C1KDM4E
SCHEMBL3027006 0.76 NR3C2 (0.55) PGRNR3C2NR3C1PTGS2
SCHEMBL3026778 0.76 KMT2A (0.37) NR3C2CCNCCDK8HASPINMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2179994-B1 FUSED BICYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2013-06-26 EP disclosed
CN-101809005-B Fused bicyclic compound MITSUBISHI TANABE PHARMA CORP 2013-05-01 CN disclosed
US-8410166-B2 Fused bicyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-04-02 US disclosed
US-8410166-B2 Fused bicyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-04-02 US disclosed
US-8410166-B2 Fused bicyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-04-02 US disclosed
US-20130029979-A1 FUSED BICYCLIC COMPOUND TAKAHASHI YOICHI (JP) 2013-01-31 US disclosed
US-20130029979-A1 FUSED BICYCLIC COMPOUND TAKAHASHI YOICHI (JP) 2013-01-31 US disclosed
US-20130029979-A1 FUSED BICYCLIC COMPOUND TAKAHASHI YOICHI (JP) 2013-01-31 US disclosed
US-8258131-B2 Fused bicyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-09-04 US disclosed
US-8258131-B2 Fused bicyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-09-04 US disclosed
US-8258131-B2 Fused bicyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-09-04 US disclosed
CN-101809005-A Fused bicyclic compound MITSUBISHI TANABE PHARMA CORP 2010-08-18 CN disclosed
US-20100204218-A1 FUSED BICYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-08-12 US disclosed
US-20100204218-A1 FUSED BICYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-08-12 US disclosed
US-20100204218-A1 FUSED BICYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-08-12 US disclosed
EP-2179994-A1 FUSED BICYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2010-04-28 EP 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 (2 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-20130029979-A1 FUSED BICYCLIC COMPOUND NR3C2, NR3C1, MC2R DGAT1 4313/4885PGR 153/4885NR3C2 1/4885
US-20100204218-A1 FUSED BICYCLIC COMPOUND NR3C2, NR3C1, MC2R DGAT1 4510/4885PGR 215/4885NR3C2 1/4885

“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.