SCHEMBL746233

SCHEMBL746233

Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.44
F11 P03951 2/20 0.44
PRSS1 P07477 2/20 0.44
PRSS2 P07478 2/20 0.44
PRSS3 P35030 2/20 0.44
HIF1A Q16665 3/20 0.42
CA1 P00915 6/20 0.39
CA2 P00918 6/20 0.39
CA9 Q16790 6/20 0.39
ABCC9 O60706 2/20 0.38
ABCC8 Q09428 2/20 0.38
KCNJ11 Q14654 2/20 0.38
KCNJ8 Q15842 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
LPL P06858 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
TNIK Q9UKE5 1/20 0.36
ROCK1 Q13464 1/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 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
SCHEMBL2635452 0.85 HIF1A (0.46) F2F11PRSS1PRSS2PRSS3
SCHEMBL30526561 0.83 HIF1A (0.46) HIF1ACA1CA2CA9LPL
SCHEMBL5899699 0.83 HIF1A (0.46) HIF1ACA1CA2CA9LPL
SCHEMBL21626169 0.81 HIF1A (0.46) HIF1ACA1CA2CA9SMN1; SMN2
SCHEMBL65546 0.80 AAK1 (0.53) HIF1ACA1CA2CA9SMN1; SMN2
SCHEMBL4914268 0.79 F2 (0.52) F2F11PRSS1PRSS2PRSS3
SCHEMBL59016 0.78 KDR (0.53) CA1CA2CA9CA12
SCHEMBL746232 0.78 F2 (0.41) F2F11PRSS1PRSS2PRSS3
SCHEMBL12107159 0.78 HIF1A (0.44) HIF1ACA1CA2CA9SMN1; SMN2
SCHEMBL15739827 0.78 NPC1 (0.45) HIF1ASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2431368-B1 CNS active fused bicycloheterocycle substituted azabicyclic alkane derivatives ABBVIE BAHAMAS LTD (BS) 2014-08-27 EP disclosed
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-20100305089-A1 Fused Bicycloheterocycle Substituted Azabicyclic Alkane Derivatives ABBOTT LABORATORIES (US) 2010-12-02 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 (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-20100305089-A1 Fused Bicycloheterocycle Substituted Azabicyclic Alkane Derivatives MALT1, BMP2, ALKBH2 F2 2666/4885F11 4697/4885PRSS1 4806/4885

“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.