SCHEMBL698820

SCHEMBL698820

CCC(OC(=O)n1ccnc1[C@@H](C)c1cccc(C)c1C)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.35
LMNA P02545 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
FFAR1 O14842 2/20 0.33
TP53 P04637 1/20 0.33
NR3C2 P08235 1/20 0.33
ALKBH1 Q13686 1/20 0.33
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GRIN2B Q13224 1/20 0.32
MEN1 O00255 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL698950 0.86 POLB (0.35) LMNATP53ALDH1A1KMT2AMEN1
SCHEMBL696280 0.84 ADRA2A (0.35) LMNAOPRD1OPRK1TP53ALDH1A1
SCHEMBL699093 0.84 ALDH1A1 (0.40) LMNATP53ALDH1A1KMT2AKDM4E
SCHEMBL698760 0.83 FFAR1 (0.35) MAPK14LMNAOPRD1OPRK1FFAR1
SCHEMBL697869 0.82 OPRD1 (0.36) MAPK14LMNAOPRD1OPRK1FFAR1
SCHEMBL697870 0.82 OPRD1 (0.36) MAPK14LMNAOPRD1OPRK1FFAR1
SCHEMBL697796 0.82 TP53 (0.34) LMNATP53ALDH1A1KMT2AMEN1
SCHEMBL697795 0.82 TP53 (0.34) LMNATP53ALDH1A1KMT2AMEN1
SCHEMBL698841 0.80 TP53 (0.35) LMNATP53ALDH1A1KMT2AMEN1
SCHEMBL697479 0.80 KMT2A (0.34) LMNATP53ALDH1A1KMT2AKDM4E

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
EP-2423199-A1 Substituted imidazoles and their use as pesticides Pfizer Limited (GB) 2012-02-29 EP disclosed
US-7825149-B2 Substituted imidazoles PFIZER LIMITED (GB) 2010-11-02 US disclosed
US-20090312326-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2009-12-17 US disclosed
US-7592362-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-09-22 US disclosed
US-7547718-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-16 US disclosed
US-7544706-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-09 US disclosed
US-20080125473-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-29 US disclosed
US-20080119536-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-22 US disclosed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 US 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 (4 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-20080125473-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 MAPK14 3258/4885LMNA 3030/4885OPRD1 1759/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 MAPK14 3258/4885LMNA 3030/4885OPRD1 1759/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 MAPK14 3258/4885LMNA 3030/4885OPRD1 1759/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 MAPK14 3258/4885LMNA 3030/4885OPRD1 1759/4885

“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.