SCHEMBL698498

SCHEMBL698498

Cc1cccc([C@H](C)c2nccn2C(=O)OCCC2CCCCC2)c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.35
CHRM4 P08173 4/20 0.35
CHRM5 P08912 4/20 0.35
CHRM1 P11229 4/20 0.35
CHRM3 P20309 4/20 0.35
OPRD1 P41143 1/20 0.35
TSHR P16473 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
IDH1 O75874 2/20 0.34
ALDH1A1 P00352 2/20 0.33
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 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
SCHEMBL697567 0.95 SSTR4 (0.33) CHRM4TSHRMEN1KMT2AALDH1A1
SCHEMBL703518 0.94 CYSLTR2 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL698575 0.94 NAAA (0.38)
SCHEMBL697084 0.93 CYSLTR2 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL698409 0.90 GUCY1B2 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL695810 0.89 GUCY1B2 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL698544 0.87 JMJD6 (0.37) OPRD1TSHRMEN1KMT2ARAB9A
SCHEMBL697147 0.85 GPR119 (0.36) TSHRMEN1KMT2AALDH1A1LMNA
SCHEMBL697702 0.84 MAPK1 (0.43) OPRD1TSHRMEN1KMT2ANPC1
SCHEMBL699093 0.83 ALDH1A1 (0.40) TSHRMEN1KMT2ANPC1TP53

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 CHRM2 831/4885CHRM4 1035/4885CHRM5 1415/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CHRM2 831/4885CHRM4 1035/4885CHRM5 1415/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CHRM2 831/4885CHRM4 1035/4885CHRM5 1415/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CHRM2 831/4885CHRM4 1035/4885CHRM5 1415/4885

“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.