SCHEMBL745212

SCHEMBL745212

CN1C2CCC1(OC(=O)C(F)(F)F)CC(Oc1ccc(-c3ccc4occc4c3)nn1)C2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.40
CHRNA7 P36544 5/20 0.40
FASN P49327 2/20 0.33
HTT P42858 1/20 0.32
KMO O15229 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FGFR3 P22607 1/20 0.31
KDR P35968 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
HTR3A P46098 1/20 0.31
CTSC P53634 2/20 0.30
CTSK P43235 1/20 0.30
IL1B P01584 1/20 0.30
NLRP3 Q96P20 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
SCHEMBL990816 0.85 KCNH2 (0.41) KCNH2CHRNA7HTTSMN1; SMN2IL1B
SCHEMBL748482 0.81 KCNH2 (0.40) KCNH2CHRNA7HTTSMN1; SMN2IL1B
Trifluoroacetic Acid SCHEMBL745211 0.80 CHRNA7 (0.45) KCNH2CHRNA7HTTKMOCHRNB2
Trifluoroacetic Acid SCHEMBL990616 0.80 CHRNA7 (0.45) KCNH2CHRNA7HTTKMOCHRNB2
SCHEMBL745399 0.75 CHRNA7 (0.53) KCNH2CHRNA7HTTKMOCHRNB2
SCHEMBL745398 0.75 CHRNA7 (0.53) KCNH2CHRNA7HTTKMOCHRNB2
SCHEMBL16291954 0.69 EPHX2 (0.33)
SCHEMBL15476932 0.69 EPHX2 (0.33)
Trifluoroacetic Acid SCHEMBL3183006 0.69 CHRNA7 (0.57) KCNH2CHRNA7FASNKMOCHRNB2
Trifluoroacetic Acid SCHEMBL989041 0.66 CHRNA7 (0.42) KCNH2CHRNA7KMOHTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2431368-A1 CNS active fused bicycloheterocycle substituted azabicyclic alkane derivatives Abbott Laboratories (US) 2012-03-21 EP disclosed
EP-2018380-B1 Cns active fused bicycloheterocycle substituted azabicyclic alkane derivatives ABBOTT LAB (US) 2011-10-19 EP disclosed
US-7872017-B2 Fused bicycloheterocycle substituted azabicyclic alkane derivatives ABBOTT LABORATORIES (US) 2011-01-18 US disclosed
US-20100305089-A1 Fused Bicycloheterocycle Substituted Azabicyclic Alkane Derivatives ABBOTT LABORATORIES (US) 2010-12-02 US disclosed
US-20080045539-A1 FUSED BICYCLOHETEROCYCLE SUBSTITUTED AZABICYCLIC ALKANE DERIVATIVES ABBVIE INC. 2008-02-21 US 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-20080045539-A1 FUSED BICYCLOHETEROCYCLE SUBSTITUTED AZABICYCLIC ALKANE DERIVATIVES MALT1, BMP2, ALKBH2 KCNH2 708/4885CHRNA7 2776/4885FASN 1058/4885
US-20100305089-A1 Fused Bicycloheterocycle Substituted Azabicyclic Alkane Derivatives MALT1, BMP2, ALKBH2 KCNH2 708/4885CHRNA7 2776/4885FASN 1058/4885

“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.