SCHEMBL698166

SCHEMBL698166

Cc1cccc([C@H](C)c2nccn2C(=O)OCC2(C)CC2)c1C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
CCR5 P51681 1/20 0.31
NPC1 O15118 1/20 0.31
SSTR4 P31391 2/20 0.31
ADRA2A P08913 2/20 0.30
ADRA2B P18089 2/20 0.30
ADRA2C P18825 2/20 0.30
ADRA1D P25100 2/20 0.30
ADRA1A P35348 2/20 0.30
ADRA1B P35368 2/20 0.30
TP53 P04637 2/20 0.30
TSHR P16473 2/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL696473 0.95 MEN1 (0.33) OPRD1OPRK1ALDH1A1MAPTLMNA
SCHEMBL703524 0.91 IRAK4 (0.33) ALDH1A1MAPTLMNAPOLBMEN1
SCHEMBL699093 0.88 ALDH1A1 (0.40) ALDH1A1MAPTLMNAPOLBMEN1
SCHEMBL698041 0.85 CYP19A1 (0.36) ALDH1A1MAPTLMNAPOLBMEN1
SCHEMBL697019 0.84 TSHR (0.40) ALDH1A1MAPTLMNAPOLBMEN1
SCHEMBL697994 0.84 TSHR (0.40) ALDH1A1MAPTLMNAPOLBMEN1
SCHEMBL697307 0.84 CTSK (0.35) OPRD1OPRK1ALDH1A1MAPTMEN1
SCHEMBL697702 0.84 MAPK1 (0.43) OPRD1ALDH1A1MAPTLMNAPOLB
SCHEMBL697147 0.83 GPR119 (0.36) ALDH1A1MAPTLMNAPOLBMEN1
SCHEMBL697568 0.83 MEN1 (0.34) ALDH1A1MAPTLMNAPOLBMEN1

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 OPRD1 1759/4885OPRK1 1806/4885ALDH1A1 617/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 OPRD1 1759/4885OPRK1 1806/4885ALDH1A1 617/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 OPRD1 1759/4885OPRK1 1806/4885ALDH1A1 617/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 OPRD1 1759/4885OPRK1 1806/4885ALDH1A1 617/4885

“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.