SCHEMBL648828

SCHEMBL648828

OC1(C(c2ccc(OC(F)(F)F)cc2)c2ccc(OC(F)(F)F)cc2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.51
ACHE P22303 4/20 0.51
BACE1 P56817 4/20 0.51
LIPE Q05469 1/20 0.50
LMNA P02545 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TSHR P16473 1/20 0.49
KCNH2 Q12809 1/20 0.47
P2RY1 P47900 1/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
OPRL1 P41146 1/20 0.46
CHRM4 P08173 4/20 0.46
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
DRD2 P14416 2/20 0.45
DRD4 P21917 2/20 0.45
DRD3 P35462 2/20 0.45

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 0.85 KCNH2 (0.48) BCHEACHEBACE1LMNAALDH1A1
SCHEMBL648176 0.85 PRCP (0.49) BCHEACHEBACE1LIPELMNA
SCHEMBL645215 0.84 LMNA (0.51) BCHEACHEBACE1LMNAALDH1A1
SCHEMBL3899618 0.81 OPRL1 (0.68) BCHEACHEBACE1LIPELMNA
SCHEMBL4367567 0.79 SLC6A2 (0.71) SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL3954934 0.78 SLC6A2 (0.71) SLC6A2SLC6A4
SCHEMBL5012790 0.78 SLC6A2 (0.44) SLC6A2SLC6A4
SCHEMBL11888824 0.75 ALDH1A1 (0.57) BCHEACHEBACE1LIPELMNA
SCHEMBL1147150 0.75 P2RY1 (0.61) BCHEACHEBACE1LIPEKCNH2
SCHEMBL3962078 0.75 ACHE (0.49) ACHELMNAALDH1A1SLC6A2SLC6A4

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 BCHE 2353/4885ACHE 3526/4885BACE1 4215/4885
US-20090215821-A1 N-Substituted Azacycles DDT, UQCRB, DNMT1 BCHE 85/4885ACHE 108/4885BACE1 4125/4885

“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.