SCHEMBL646388

SCHEMBL646388

OC1(C(c2ccc(OC(F)(F)F)cc2)c2ccc(OC(F)(F)F)cc2)CCN(Cc2ccc(Oc3ncccn3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.48
PRCP P42785 9/20 0.47
LMNA P02545 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
MMP1 P03956 2/20 0.44
MMP3 P08254 2/20 0.44
MMP9 P14780 2/20 0.44
MMP8 P22894 2/20 0.44
MMP14 P50281 2/20 0.44
MMP2 P08253 1/20 0.44
MMP13 P45452 1/20 0.43
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
NAMPT P43490 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40

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
SCHEMBL648176 0.89 PRCP (0.49) KCNH2PRCPLMNAALDH1A1TSHR
SCHEMBL647940 0.89 KCNH2 (0.48) KCNH2PRCPLMNAALDH1A1TSHR
SCHEMBL648828 0.85 BCHE (0.51) KCNH2LMNAALDH1A1TSHRSLC6A2
SCHEMBL645215 0.81 LMNA (0.51) KCNH2PRCPLMNAALDH1A1TSHR
SCHEMBL648546 0.80 RXRA (0.35) KCNH2MMP1MMP3MMP9MMP8
SCHEMBL5012784 0.71 PDE2A (0.39) KCNH2MMP1MMP3MMP9MMP8
SCHEMBL5098887 0.71 CYP2D6 (0.50) KCNH2LMNAALDH1A1
SCHEMBL646602 0.71 CHRM5 (0.40) KCNH2PRCPMMP1MMP3MMP9
SCHEMBL5788585 0.69 MEN1 (0.45) KCNH2LMNAALDH1A1ACHE
SCHEMBL647132 0.69 HRH3 (0.53) LMNAALDH1A1

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 9 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
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 KCNH2 685/4885PRCP 3336/4885LMNA 2453/4885

“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.