SCHEMBL3965742

SCHEMBL3965742

CCOC(=O)C=C1CCc2c1ccc(N(C)Cc1ccccc1)c2-c1ccc2ccccc2c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
POLB P06746 1/20 0.34
ACHE P22303 3/20 0.34
CTDSP1 Q9GZU7 2/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
OPRM1 P35372 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
SLC26A6 Q9BXS9 1/20 0.32
BCHE P06276 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL3971865 0.89 ACHE (0.37) ACHEOPRM1TMEM97SIGMAR1
SCHEMBL3965744 0.80 MAPT (0.38) CCNCCDK8SLC6A2SLC6A4SLC6A3
SCHEMBL3965739 0.80 MAPT (0.38) CCNCCDK8SLC6A2SLC6A4SLC6A3
SCHEMBL3969777 0.79 MAPT (0.38) POLBACHELMNAMAPT
SCHEMBL3962264 0.78 CCNC (0.38) CCNCCDK8SLC6A2SLC6A4SLC6A3
SCHEMBL3962266 0.78 CCNC (0.38) CCNCCDK8SLC6A2SLC6A4SLC6A3
SCHEMBL3971870 0.67 RAB9A (0.35) POLBLMNAMAPTGAA
SCHEMBL3971864 0.67 RAB9A (0.35) POLBLMNAMAPTGAA
SCHEMBL3969339 0.66 CCNC (0.41) CCNCCDK8SLC6A2SLC6A4SLC6A3
SCHEMBL3969341 0.66 CCNC (0.41) CCNCCDK8SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP disclosed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US disclosed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 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 (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-20090054401-A1 Substituted bicyclic derivatives and use thereof LTB4R2, LTC4S, LTB4R CCNC 1542/4885CDK8 1026/4885SLC6A2 3349/4885

“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.