SCHEMBL697868

SCHEMBL697868

COc1ccc(C(C)c2ncc[nH]2)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.48
ADRA2C P18825 3/20 0.48
ADRA2B P18089 2/20 0.48
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
MC4R P32245 1/20 0.40
KMO O15229 2/20 0.40
SMPD3 Q9NY59 1/20 0.38
GCK P35557 1/20 0.38
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
PDE5A O76074 1/20 0.35
GRM4 Q14833 1/20 0.35

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
SCHEMBL697142 0.84 ADRA2A (0.53) ADRA2AADRA2CADRA2BALDH1A1FPR2
SCHEMBL1573502 0.81 ADRA2A (0.51) ADRA2AADRA2CADRA2BALDH1A1CYP3A4
SCHEMBL705804 0.78 ADRA2A (0.51) ADRA2AADRA2CADRA2BALDH1A1MAPK1
SCHEMBL6002654 0.77 SMPD3 (0.56) ALDH1A1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL957222 0.74 ADRA2A (0.53) ADRA2AADRA2CADRA2BALDH1A1CYP3A4
SCHEMBL27826876 0.74 ADRA2A (0.47) ADRA2AADRA2CADRA2BFPR2
SCHEMBL14770685 0.74 MLKL (0.50) ALDH1A1CYP3A4CYP2D6MAPTMAPK1
SCHEMBL698345 0.74 ADRA2A (0.52) ADRA2AADRA2CADRA2BMAPK1FPR2
SCHEMBL697032 0.73 ADRA2A (0.55) ADRA2AADRA2CADRA2BALDH1A1FPR2
SCHEMBL698370 0.72 ADRA2A (0.44) ADRA2AADRA2CADRA2BALDH1A1CYP1A2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825149-B2 Substituted imidazoles PFIZER LIMITED (GB) 2010-11-02 US claimed
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 ADRA2A 456/4885ADRA2C 144/4885ADRA2B 317/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ADRA2A 456/4885ADRA2C 144/4885ADRA2B 317/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ADRA2A 456/4885ADRA2C 144/4885ADRA2B 317/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ADRA2A 456/4885ADRA2C 144/4885ADRA2B 317/4885

“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.