SCHEMBL645215

SCHEMBL645215

COCCOc1ccc(CN2CCC(O)(C(c3ccc(OC(F)(F)F)cc3)c3ccc(OC(F)(F)F)cc3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
ALDH1A1 P00352 3/20 0.48
TSHR P16473 2/20 0.48
KCNH2 Q12809 2/20 0.44
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
HRH3 Q9Y5N1 1/20 0.40
LSS P48449 1/20 0.40
AXL P30530 1/20 0.40
MERTK Q12866 1/20 0.40
GPR183 P32249 1/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP14 P50281 1/20 0.40
PRCP P42785 1/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
BCHE P06276 1/20 0.39

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
SCHEMBL648828 0.84 BCHE (0.51) LMNAALDH1A1TSHRKCNH2SLC6A2
SCHEMBL646388 0.81 KCNH2 (0.48) LMNAALDH1A1TSHRKCNH2SLC6A2
SCHEMBL647369 0.80 SLC6A4 (0.36) LMNAALDH1A1SLC6A2SLC6A4MMP3
SCHEMBL648176 0.79 PRCP (0.49) LMNAALDH1A1TSHRKCNH2SLC6A2
SCHEMBL645639 0.72 SLC6A2 (0.40) SLC6A2SLC6A4
SCHEMBL8792056 0.70 TSHR (0.55) ALDH1A1TSHRHRH3BCHEACHE
SCHEMBL11888824 0.69 ALDH1A1 (0.57) LMNAALDH1A1TSHRKCNH2LSS
SCHEMBL5012790 0.69 SLC6A2 (0.44) SLC6A2SLC6A4HRH3MMP3MMP9
SCHEMBL647940 0.69 KCNH2 (0.48) LMNAALDH1A1TSHRKCNH2MMP3
SCHEMBL24093423 0.69 TSHR (0.68) LMNAALDH1A1TSHRKCNH2SLC6A4

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-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
EP-1673083-A4 N-SUBSTITUTED AZACYCLES BAYER CROPSCIENCE AG (DE) 2008-12-17 EP disclosed
EP-1673083-A2 N-SUBSTITUTED AZACYCLES FMC CORPORATION (US) 2006-06-28 EP 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 (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-20090215821-A1 N-Substituted Azacycles DDT, UQCRB, DNMT1 LMNA 2453/4885ALDH1A1 2697/4885TSHR 1037/4885

“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.