SCHEMBL909615

SCHEMBL909615

FC(F)(F)c1ccc(OCC2CO2)c(OCc2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.60
SLC6A4 P31645 1/20 0.60
HTR2B P41595 1/20 0.60
RXRA P19793 2/20 0.49
RXRB P28702 2/20 0.49
RXRG P48443 2/20 0.49
LRRK2 Q5S007 3/20 0.44
MRGPRX4 Q96LA9 4/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PTGER1 P34995 2/20 0.44
DRD4 P21917 2/20 0.44
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP2C9 P11712 1/20 0.42
PTPRC P08575 1/20 0.42
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPRB P23467 1/20 0.42

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
SCHEMBL909662 1.00 HTR2C (0.60) HTR2CSLC6A4HTR2BRXRARXRB
SCHEMBL909614 1.00 HTR2C (0.60) HTR2CSLC6A4HTR2BRXRARXRB
SCHEMBL8794739 0.82 ALDH1A1 (0.62) HTR2CSLC6A4HTR2BMEN1KMT2A
SCHEMBL9015397 0.82 ALDH1A1 (0.62) HTR2CSLC6A4HTR2BMEN1KMT2A
SCHEMBL4175275 0.81 SLC6A4 (0.57) HTR2CSLC6A4HTR2BMEN1KMT2A
SCHEMBL3354689 0.81 SLC6A4 (0.57) HTR2CSLC6A4HTR2BMEN1KMT2A
SCHEMBL30628474 0.80 TDP1 (0.57) MEN1KMT2AALDH1A1GLATDP1
SCHEMBL8730031 0.80 TDP1 (0.57) MEN1KMT2AALDH1A1GLATDP1
SCHEMBL21657603 0.80 TDP1 (0.57) MEN1KMT2AALDH1A1GLATDP1
SCHEMBL29721135 0.80 TDP1 (0.57) MEN1KMT2AALDH1A1GLATDP1

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
US-8153651-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same EVOTEC AG (DE) 2012-04-10 US disclosed
US-8153651-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same EVOTEC AG (DE) 2012-04-10 US disclosed
EP-2215054-B1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS INC (US) 2011-08-31 EP disclosed
US-20110021514-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2011-01-27 US disclosed
US-20110021514-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2011-01-27 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-20110021514-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 HTR2C 1833/4885SLC6A4 1737/4885HTR2B 1545/4885

“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.