SCHEMBL697174

SCHEMBL697174

Cc1cccc([C@H](C)c2nccn2C(=O)OCC2CCOCC2)c1C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.37
HTR4 Q13639 2/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
CNR2 P34972 6/20 0.34
CNR1 P21554 5/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
GPR119 Q8TDV5 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC2A1 P11166 1/20 0.32
GRM4 Q14833 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
SCHEMBL697147 0.93 GPR119 (0.36) CNR2GPR119KMT2A
SCHEMBL698544 0.91 JMJD6 (0.37) RAB9AGPR119KMT2A
SCHEMBL695810 0.91 GUCY1B2 (0.36) NPC1RAB9AGPR119KMT2A
SCHEMBL698409 0.90 GUCY1B2 (0.37) NPC1RAB9AGPR119KMT2A
SCHEMBL713477 0.85 POLB (0.33) HTR4KMT2A
SCHEMBL699093 0.83 ALDH1A1 (0.40) NPC1GAAKMT2A
SCHEMBL699091 0.83 TSHR (0.33) NPC1GAAKMT2A
SCHEMBL697567 0.83 SSTR4 (0.33) KMT2A
SCHEMBL698498 0.81 CHRM2 (0.35) NPC1RAB9AKMT2A
SCHEMBL703524 0.80 IRAK4 (0.33) IRAK4CNR2NPC1RAB9AKMT2A

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 AOC3 812/4885HTR4 768/4885IRAK4 2308/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 AOC3 812/4885HTR4 768/4885IRAK4 2308/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 AOC3 812/4885HTR4 768/4885IRAK4 2308/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 AOC3 812/4885HTR4 768/4885IRAK4 2308/4885

“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.