SCHEMBL698176

SCHEMBL698176

Cc1ccccc1COC(=O)n1ccnc1[C@@H](C)c1cccc(C)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.41
MAPT P10636 3/20 0.36
MAOB P27338 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
ADORA2A P29274 1/20 0.36
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.34
ADRA2C P18825 1/20 0.34
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
PGGT1B P53609 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
FFAR1 O14842 2/20 0.33
KMT2A Q03164 2/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33

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
SCHEMBL702153 0.92 GRIN2B (0.39) GRIN2BMAPTMAOBKDM4EALDH1A1
SCHEMBL696969 0.92 CASP3 (0.39) GRIN2BMAPTMAOBALDH1A1LMNA
SCHEMBL3530362 0.91 FNTA (0.40) GRIN2BMAPTALDH1A1NPC1LMNA
SCHEMBL698766 0.91 KMT2A (0.40) GRIN2BALDH1A1POLBKMT2AMEN1
SCHEMBL697715 0.91 TDP1 (0.40) GRIN2BMAPTKDM4EALDH1A1LMNA
SCHEMBL697700 0.90 EPHX1 (0.39) GRIN2BFFAR1
SCHEMBL698585 0.90 KDM4A (0.36) GRIN2BMAPTKDM4EALDH1A1NPC1
SCHEMBL3525398 0.89 CHRM5 (0.36) GRIN2BMAPTKDM4EALDH1A1NPC1
SCHEMBL697709 0.89 LMNA (0.34) GRIN2BMAPTKDM4EALDH1A1NPC1
SCHEMBL697760 0.89 L3MBTL1 (0.38) GRIN2BMAPTALDH1A1NPC1LMNA

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 GRIN2B 3622/4885MAPT 316/4885MAOB 186/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 GRIN2B 3622/4885MAPT 316/4885MAOB 186/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 GRIN2B 3622/4885MAPT 316/4885MAOB 186/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 GRIN2B 3622/4885MAPT 316/4885MAOB 186/4885

“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.