SCHEMBL698409

SCHEMBL698409

Cc1cccc([C@H](C)c2nccn2C(=O)OCC2CCCCC2)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUCY1B2 O75343 4/20 0.37
GUCY1A2 P33402 4/20 0.37
GUCY1A1 Q02108 4/20 0.37
GUCY1B1 Q02153 4/20 0.37
OPRD1 P41143 1/20 0.35
PDE1C Q14123 2/20 0.35
GRM5 P41594 1/20 0.35
IDH1 O75874 2/20 0.34
JMJD6 Q6NYC1 1/20 0.34
TSHR P16473 2/20 0.34
CYP19A1 P11511 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
BCL9 O00512 1/20 0.34
CTNNB1 P35222 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 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
SCHEMBL695810 0.99 GUCY1B2 (0.36) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRD1
SCHEMBL698544 0.97 JMJD6 (0.37) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRD1
SCHEMBL697147 0.95 GPR119 (0.36) GUCY1B2GUCY1A2GUCY1A1GUCY1B1JMJD6
SCHEMBL697174 0.90 AOC3 (0.37) NPC1GPR119RAB9AKMT2A
SCHEMBL698498 0.90 CHRM2 (0.35) OPRD1IDH1TSHRNPC1LMNA
SCHEMBL703518 0.89 CYSLTR2 (0.38) OPRD1CHRM2CHRM4CHRM5CHRM1
SCHEMBL698575 0.88 NAAA (0.38)
SCHEMBL697084 0.87 CYSLTR2 (0.36) OPRD1TSHRCHRM2CHRM4CHRM5
SCHEMBL699093 0.85 ALDH1A1 (0.40) TSHRNPC1LMNAMAPK1MEN1
SCHEMBL697567 0.85 SSTR4 (0.33) TSHRLMNAMAPK1CHRM4MEN1

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 GUCY1B2 614/4885GUCY1A2 1175/4885GUCY1A1 1626/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 GUCY1B2 614/4885GUCY1A2 1175/4885GUCY1A1 1626/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 GUCY1B2 614/4885GUCY1A2 1175/4885GUCY1A1 1626/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 GUCY1B2 614/4885GUCY1A2 1175/4885GUCY1A1 1626/4885

“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.