SCHEMBL562406

SCHEMBL562406

FC(F)(F)c1ccccc1N1CCN(CCCl)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.57
ADRA1A P35348 1/20 0.57
ADRA1B P35368 1/20 0.57
HTR1A P08908 4/20 0.55
DRD4 P21917 1/20 0.53
GRM2 Q14416 1/20 0.53
DRD2 P14416 5/20 0.51
HTR2A P28223 3/20 0.51
HTR7 P34969 2/20 0.51
HTR6 P50406 2/20 0.51
AKR1C3 P42330 1/20 0.48
FAAH O00519 3/20 0.47
DRD3 P35462 3/20 0.47
HSD11B1 P28845 2/20 0.47
CACNA1G O43497 1/20 0.46
TTR P02766 1/20 0.46
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL28811543 0.87 ADRA1D (0.46) ADRA1DADRA1AADRA1BHTR1ADRD4
SCHEMBL11153275 0.84 HTR1A (0.55) ADRA1DADRA1AADRA1BHTR1ADRD4
SCHEMBL2090844 0.82 HTR1A (0.55) ADRA1DADRA1AADRA1BHTR1ADRD4
SCHEMBL8828520 0.82 CYP2D6 (0.56) ADRA1DADRA1AADRA1BHTR1ADRD4
SCHEMBL31096308 0.81 DRD4 (0.55) ADRA1DADRA1AADRA1BHTR1ADRD4
SCHEMBL2095305 0.81 DRD4 (0.52) ADRA1DADRA1AADRA1BHTR1ADRD4
SCHEMBL3209314 0.81 DRD2 (0.57) ADRA1DADRA1AADRA1BHTR1ADRD4
SCHEMBL2091264 0.81 DRD2 (0.57) ADRA1DADRA1AADRA1BHTR1ADRD4
SCHEMBL2094159 0.80 DRD2 (0.58) ADRA1DADRA1AADRA1BHTR1ADRD4
SCHEMBL6751057 0.79 KDM4E (0.61) ADRA1DADRA1AADRA1BHTR1ADRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150057290-A1 METHOD OF USING FLIBANSERIN FOR NEUROPROTECTION SALIX PHARMACEUTICALS, INC. 2015-02-26 US disclosed
US-20140044803-A1 METHOD OF USING FLIBANSERIN FOR NEUROPROTECTION SPROUT PHARMACEUTICALS INC (US) 2014-02-13 US disclosed
US-20120035185-A1 Method of Using Flibanserin for Neuroprotection SPROUT PHARMACEUTICALS, INC. 2012-02-09 US disclosed
WO-2010128516-A2 PROCESS FOR THE PREPARATION OF FLIBANSERIN INVOLVING NOVEL INTERMEDIATES SYMED LABS LIMITED (IN) 2010-11-11 WO disclosed
US-20060160822-A1 Method of Using Flibanserin for Neuroprotection BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-07-20 US disclosed
US-20040235861-A1 Method of using flibanserin for neuroprotection BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-11-25 US disclosed
US-20030060475-A1 Method of using flibanserin for neuroprotection BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-03-27 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 (6 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-20040235861-A1 Method of using flibanserin for neuroprotection FLNB, BDNF, NLN ADRA1D 472/4885ADRA1A 504/4885ADRA1B 102/4885
US-20150057290-A1 METHOD OF USING FLIBANSERIN FOR NEUROPROTECTION FLNB, BDNF, NLN ADRA1D 393/4885ADRA1A 418/4885ADRA1B 97/4885
US-20030060475-A1 Method of using flibanserin for neuroprotection FLNB, BDNF, NLN ADRA1D 472/4885ADRA1A 504/4885ADRA1B 102/4885
US-20140044803-A1 METHOD OF USING FLIBANSERIN FOR NEUROPROTECTION FLNB, BDNF, NLN ADRA1D 393/4885ADRA1A 418/4885ADRA1B 97/4885
US-20060160822-A1 Method of Using Flibanserin for Neuroprotection FLNB, BDNF, NLN ADRA1D 393/4885ADRA1A 418/4885ADRA1B 97/4885
US-20120035185-A1 Method of Using Flibanserin for Neuroprotection FLNB, BDNF, NLN ADRA1D 393/4885ADRA1A 418/4885ADRA1B 97/4885

“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.