SCHEMBL646801

SCHEMBL646801

OC1(C(c2ccc(OC(F)(F)F)cc2)c2ccc(OC(F)(F)F)cc2)CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.43
SLC6A4 P31645 7/20 0.43
MMP3 P08254 2/20 0.43
MMP1 P03956 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
MMP14 P50281 1/20 0.43
SLC6A3 Q01959 4/20 0.40
LIPE Q05469 1/20 0.39
EPHX1 P07099 1/20 0.39
MMP10 P09238 1/20 0.38
KCNH2 Q12809 1/20 0.38
PDE2A O00408 1/20 0.37
NISCH Q9Y2I1 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL5237277 0.76 DRD2 (0.54) SLC6A2SLC6A4MMP3MMP1MMP9
SCHEMBL5012790 0.76 SLC6A2 (0.44) SLC6A2SLC6A4MMP3MMP1MMP9
SCHEMBL645639 0.74 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3PDE2A
SCHEMBL5012784 0.74 PDE2A (0.39) SLC6A2SLC6A4MMP3MMP1MMP9
SCHEMBL7289577 0.73 MMP3 (0.45) SLC6A2SLC6A4MMP3MMP1MMP9
SCHEMBL648828 0.72 BCHE (0.51) SLC6A2SLC6A4LIPEKCNH2ALDH1A1
SCHEMBL647493 0.72 GPR119 (0.52) SLC6A2SLC6A4LIPEKCNH2ALDH1A1
SCHEMBL4626514 0.72 SLC6A2 (0.72) SLC6A2SLC6A4
SCHEMBL31469761 0.72 SCN10A (0.37) SLC6A2SLC6A4MMP3MMP1MMP9
Hydrochloric Acid SCHEMBL3960882 0.71 SLC6A2 (0.72) SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119563-B2 N-substituted azacycles FMC CORPORATION (US) 2012-02-21 US disclosed
US-8119563-B2 N-substituted azacycles FMC CORPORATION (US) 2012-02-21 US disclosed
US-8119563-B2 N-substituted azacycles FMC CORPORATION (US) 2012-02-21 US disclosed
US-20090215821-A1 N-Substituted Azacycles FMC CORPORATION 2009-08-27 US disclosed
US-20090215821-A1 N-Substituted Azacycles FMC CORPORATION 2009-08-27 US disclosed
US-20090215821-A1 N-Substituted Azacycles FMC CORPORATION 2009-08-27 US disclosed
EP-1673083-A4 N-SUBSTITUTED AZACYCLES BAYER CROPSCIENCE AG (DE) 2008-12-17 EP disclosed
US-20080039631-A1 Process For Preparing N-(Substituted Arylmethyl) -4-Substituted-4-(Disubstituted Methyl) Piperidines And Intermediates BAYER CROP SCIENCE AG (DE) 2008-02-14 US disclosed
US-20080039631-A1 Process For Preparing N-(Substituted Arylmethyl) -4-Substituted-4-(Disubstituted Methyl) Piperidines And Intermediates BAYER CROP SCIENCE AG (DE) 2008-02-14 US disclosed
US-20080039631-A1 Process For Preparing N-(Substituted Arylmethyl) -4-Substituted-4-(Disubstituted Methyl) Piperidines And Intermediates BAYER CROP SCIENCE AG (DE) 2008-02-14 US disclosed
EP-1791828-A1 PROCESS FOR PREPARING N-(SUBSTITUTED ARYLMETHYL)-4-SUBSTITUTED-4- (DISUBSTITUTED METHYL) PIPERIDINES AND INTERMEDIATES Bayer CropScience AG (DE) 2007-06-06 EP disclosed
EP-1673083-A2 N-SUBSTITUTED AZACYCLES FMC CORPORATION (US) 2006-06-28 EP disclosed
WO-2006031674-A1 PROCESS FOR PREPARING N-(SUBSTITUTED ARYLMETHYL)-4-SUBSTITUTED-4- (DISUBSTITUTED METHYL) PIPERIDINES AND INTERMEDIATES BAYER CROPSCIENCE AG (DE) 2006-03-23 WO disclosed
WO-2005036961-A2 N-SUBSTITUTED AZACYCLES FMC CORPORATION (US) 2005-04-28 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 (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-20080039631-A1 Process For Preparing N-(Substituted Arylmethyl) -4-Substituted-4-(Disubstituted Methyl) Piperidines And Intermediates POF1B, ZRANB2, POU5F1 SLC6A2 4406/4885SLC6A4 3671/4885MMP3 4544/4885
US-20090215821-A1 N-Substituted Azacycles DDT, UQCRB, DNMT1 SLC6A2 1979/4885SLC6A4 3145/4885MMP3 4724/4885

“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.