SCHEMBL699091

SCHEMBL699091

Cc1cccc([C@H](C)c2nccn2C(=O)OCC2CC2C)c1C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
SSTR1 P30872 1/20 0.33
SSTR4 P31391 1/20 0.33
ADRA2A P08913 4/20 0.32
ADRA2B P18089 4/20 0.32
ADRA2C P18825 4/20 0.32
ADRA1A P35348 3/20 0.32
ADRA1B P35368 3/20 0.32
ADRA1D P25100 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
MAPT P10636 1/20 0.32
KCNH2 Q12809 1/20 0.32
TP53 P04637 1/20 0.32
CYP2D6 P10635 1/20 0.32
LMNA P02545 1/20 0.32
SLC6A2 P23975 1/20 0.31

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 0.88 GPR119 (0.36) TSHRSSTR4ALDH1A1CYP3A4MAPT
SCHEMBL697000 0.87 GAA (0.34) TSHRALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL699093 0.86 ALDH1A1 (0.40) TSHRADRA2AADRA2BADRA2CADRA1A
SCHEMBL695810 0.86 GUCY1B2 (0.36) TSHRLMNAMEN1KMT2ANPC1
SCHEMBL698544 0.86 JMJD6 (0.37) TSHRALDH1A1MAPTLMNAMEN1
SCHEMBL698409 0.85 GUCY1B2 (0.37) TSHRLMNAMEN1KMT2ANPC1
SCHEMBL697174 0.83 AOC3 (0.37) KMT2ANPC1GAA
SCHEMBL697994 0.83 TSHR (0.40) TSHRADRA2AADRA2BADRA2CADRA1A
SCHEMBL697019 0.83 TSHR (0.40) TSHRADRA2AADRA2BADRA2CADRA1A
SCHEMBL697702 0.82 MAPK1 (0.43) TSHRADRA2AADRA2BADRA2CADRA1A

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 TSHR 3443/4885SSTR1 2783/4885SSTR4 2427/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 TSHR 3443/4885SSTR1 2783/4885SSTR4 2427/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 TSHR 3443/4885SSTR1 2783/4885SSTR4 2427/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 TSHR 3443/4885SSTR1 2783/4885SSTR4 2427/4885

“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.