SCHEMBL698544

SCHEMBL698544

Cc1cccc([C@H](C)c2nccn2C(=O)OCC2CCC2)c1C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JMJD6 Q6NYC1 2/20 0.37
TSHR P16473 1/20 0.35
GUCY1B2 O75343 1/20 0.34
GUCY1A2 P33402 1/20 0.34
GUCY1A1 Q02108 1/20 0.34
GUCY1B1 Q02153 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
GRIN2B Q13224 1/20 0.33
GPR88 Q9GZN0 3/20 0.33
OPRD1 P41143 1/20 0.33
PDE1C Q14123 2/20 0.32
MEN1 O00255 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
IDH1 O75874 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
P2RY12 Q9H244 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
SCHEMBL695810 0.98 GUCY1B2 (0.36) JMJD6TSHRGUCY1B2GUCY1A2GUCY1A1
SCHEMBL698409 0.97 GUCY1B2 (0.37) JMJD6TSHRGUCY1B2GUCY1A2GUCY1A1
SCHEMBL697147 0.96 GPR119 (0.36) JMJD6TSHRGUCY1B2GUCY1A2GUCY1A1
SCHEMBL697174 0.91 AOC3 (0.37) GPR119RAB9AKMT2A
SCHEMBL698498 0.87 CHRM2 (0.35) TSHROPRD1MEN1RAB9AKMT2A
SCHEMBL697084 0.86 CYSLTR2 (0.36) TSHROPRD1
SCHEMBL699093 0.86 ALDH1A1 (0.40) TSHRMEN1KMT2ALMNAALDH1A1
SCHEMBL697567 0.86 SSTR4 (0.33) TSHRGRIN2BMEN1KMT2ALMNA
SCHEMBL699091 0.86 TSHR (0.33) TSHRMEN1KMT2ALMNAALDH1A1
SCHEMBL703518 0.85 CYSLTR2 (0.38) OPRD1

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 10 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
EP-1981853-B1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES PFIZER LTD (GB) 2011-04-13 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 JMJD6 994/4885TSHR 3443/4885GUCY1B2 614/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 JMJD6 994/4885TSHR 3443/4885GUCY1B2 614/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 JMJD6 994/4885TSHR 3443/4885GUCY1B2 614/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 JMJD6 994/4885TSHR 3443/4885GUCY1B2 614/4885

“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.