SCHEMBL696682

SCHEMBL696682

CN(CCc1ccccc1)C(=O)OCCl

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.52
MLYCD O95822 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
NPY5R Q15761 1/20 0.49
LTB4R Q15722 5/20 0.48
LTB4R2 Q9NPC1 5/20 0.48
ABCC1 P33527 1/20 0.45
AOC3 Q16853 1/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43

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
SCHEMBL25787612 0.86 ALDH1A1 (0.50) KMT2ATDP1CHRNB2CHRNB4CHRNA3
SCHEMBL13181407 0.85 LTB4R (0.56) TAAR1MLYCDNPY5RLTB4RLTB4R2
SCHEMBL13034052 0.85 LTB4R (0.52) TAAR1MLYCDKMT2AMEN1NPC1
SCHEMBL698418 0.83 CHRNB2 (0.60) KMT2AMEN1NPC1RAB9ACHRNB2
SCHEMBL25797092 0.82 ALDH1A1 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2097870 0.81 NPY5R (0.56) TAAR1MLYCDKMT2ANPC1RAB9A
SCHEMBL23291183 0.80 LTB4R (0.54) MLYCDNPY5RLTB4RLTB4R2
SCHEMBL2097867 0.80 NPY5R (0.51) TAAR1MLYCDKMT2AMEN1NPC1
SCHEMBL21995253 0.79 ALDH1A1 (0.45) KMT2AMEN1TDP1
SCHEMBL206963 0.79 LTB4R (0.50) MLYCDNPY5RLTB4RLTB4R2

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 TAAR1 2147/4885MLYCD 403/4885KMT2A 945/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 TAAR1 2147/4885MLYCD 403/4885KMT2A 945/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 TAAR1 2147/4885MLYCD 403/4885KMT2A 945/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 TAAR1 2147/4885MLYCD 403/4885KMT2A 945/4885

“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.