SCHEMBL3267202

SCHEMBL3267202

O=C1OC2(CCC(OCC(F)(F)F)CC2)C(=O)C1c1ccc(Cl)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 1/20 0.35
MAPK1 P28482 2/20 0.31
DPP4 P27487 1/20 0.31
MAPT P10636 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
ALDH1A1 P00352 1/20 0.31
THRB P10828 1/20 0.31
HTT P42858 1/20 0.31
CYP46A1 Q9Y6A2 2/20 0.30
CNR2 P34972 1/20 0.30
TP53 P04637 1/20 0.30
TRPV4 Q9HBA0 2/20 0.30
NR1I2 O75469 1/20 0.30
NR3C1 P04150 1/20 0.30
PGR P06401 1/20 0.30
ADRB1 P08588 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
CNR1 P21554 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
SCHEMBL3742088 0.82 BACE1 (0.30)
SCHEMBL3732302 0.80 HTR2A (0.36) HTR2AHTR2CHTR2BMAPTNPSR1
SCHEMBL2527649 0.80 MAPK1 (0.38) HTR2AHTR2CHTR2BMAPK1DPP4
SCHEMBL3737454 0.80 BACE1 (0.31)
SCHEMBL730684 0.78 TP53 (0.38) HTR2AHTR2CHTR2BMAPK1DPP4
SCHEMBL3745117 0.75 BACE1 (0.31)
SCHEMBL3755662 0.75 HPGD (0.39) HTR2AHTR2CHTR2BMAPK1DPP4
SCHEMBL3394216 0.74 MAPK1 (0.36) HTR2AHTR2CHTR2BMAPK1DPP4
SCHEMBL13076982 0.69 PTGS2 (0.35) CNR2CNR1SLC6A3
SCHEMBL16556753 0.68 ACACB (0.34) MAPTALDH1A1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2195290-B1 HALOGEN ALKOXY SPIROCYCLIC TETRAMIC AND TETRONIC ACID DERIVATIVES BAYER IP GMBH (DE) 2015-03-11 EP disclosed
US-8435549-B2 Halogen alkoxy spirocyclic tetramic and tetronic acid derivatives BAYER CROPSCIENCE AG (DE) 2013-05-07 US disclosed
US-20100279873-A1 Halogen Alkoxy Spirocyclic Tetramic and Tetronic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2010-11-04 US disclosed
EP-2195290-A1 HALOGEN ALKOXY SPIROCYCLIC TETRAMIC AND TETRONIC ACID DERIVATIVES Bayer CropScience AG (DE) 2010-06-16 EP disclosed
EP-2045240-A1 Halogen alkoxy spirocyclic tetram and tetron acid derivatives Bayer CropScience AG (DE) 2009-04-08 EP disclosed
WO-2009039975-A1 HALOGEN ALKOXY SPIROCYCLIC TETRAMIC AND TETRONIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2009-04-02 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-20100279873-A1 Halogen Alkoxy Spirocyclic Tetramic and Tetronic Acid Derivatives KCNA5, KCNH1, KCNQ5 HTR2A 4026/4885HTR2C 4621/4885HTR2B 4235/4885

“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.