SCHEMBL648176

SCHEMBL648176

OC1(C(c2ccc(OC(F)(F)F)cc2)c2ccc(OC(F)(F)F)cc2)CCN(Cc2ccc(Oc3ccccn3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRCP P42785 7/20 0.49
CHRM5 P08912 1/20 0.47
MMP1 P03956 2/20 0.46
MMP3 P08254 2/20 0.46
MMP9 P14780 2/20 0.46
MMP8 P22894 2/20 0.46
MMP14 P50281 2/20 0.46
MMP2 P08253 1/20 0.46
KCNH2 Q12809 2/20 0.46
LMNA P02545 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
MMP13 P45452 1/20 0.42
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40
LTA4H P09960 1/20 0.40
PTGS2 P35354 1/20 0.40
NAMPT P43490 1/20 0.39
LIPE Q05469 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
SCHEMBL646388 0.89 KCNH2 (0.48) PRCPMMP1MMP3MMP9MMP8
SCHEMBL648828 0.85 BCHE (0.51) KCNH2LMNAALDH1A1TSHRBCHE
SCHEMBL646602 0.81 CHRM5 (0.40) PRCPCHRM5MMP1MMP3MMP9
SCHEMBL645215 0.79 LMNA (0.51) PRCPMMP3MMP9MMP8MMP14
SCHEMBL647940 0.79 KCNH2 (0.48) PRCPMMP1MMP3MMP9MMP8
SCHEMBL28432131 0.73 CHRM5 (0.53) CHRM5MMP9MMP2KCNH2ALDH1A1
SCHEMBL7871391 0.73 CYP2D6 (0.50) KCNH2LMNALTA4HPTGS2
SCHEMBL5012781 0.73 PDE2A (0.38) CHRM5MMP1MMP3MMP9MMP8
SCHEMBL5113084 0.72 LTA4H (0.53) CHRM5ALDH1A1TSHRLTA4HPTGS2
SCHEMBL3541460 0.72 SLC6A5 (0.44) KCNH2BCHEACHEBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1673083-A4 N-SUBSTITUTED AZACYCLES BAYER CROPSCIENCE AG (DE) 2008-12-17 EP claimed
EP-1673083-A2 N-SUBSTITUTED AZACYCLES FMC CORPORATION (US) 2006-06-28 EP claimed
WO-2005036961-A2 N-SUBSTITUTED AZACYCLES FMC CORPORATION (US) 2005-04-28 WO claimed
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 PRCP 2961/4885CHRM5 582/4885MMP1 4710/4885
US-20090215821-A1 N-Substituted Azacycles DDT, UQCRB, DNMT1 PRCP 3336/4885CHRM5 171/4885MMP1 4247/4885

“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.