SCHEMBL698493

SCHEMBL698493

CC(c1cccc(-c2ccccc2)c1)c1ncc[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.58
ADRA2B P18089 2/20 0.58
ADRA2C P18825 2/20 0.58
MTOR P42345 1/20 0.46
ADK P55263 1/20 0.46
NISCH Q9Y2I1 1/20 0.46
CDK8 P49336 1/20 0.40
ATP1A1 P05023 1/20 0.39
ATP1B1 P05026 1/20 0.39
ATP1A3 P13637 1/20 0.39
ATP1B2 P14415 1/20 0.39
ATP1A2 P50993 1/20 0.39
ATP1B3 P54709 1/20 0.39
FXYD2 P54710 1/20 0.39
ATP1A4 Q13733 1/20 0.39
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38

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
SCHEMBL698729 0.85 ADRA2A (0.60) ADRA2AADRA2BADRA2CMTORADK
SCHEMBL28000044 0.85 ADRA2A (0.60) ADRA2AADRA2BADRA2CMTORADK
SCHEMBL12716698 0.81 ADRA2A (0.53) ADRA2AADRA2BADRA2CNISCHPSEN1
SCHEMBL697579 0.81 ADRA2A (0.53) ADRA2AADRA2BADRA2CNISCHPSEN1
SCHEMBL3526225 0.81 ADRA2A (0.53) ADRA2AADRA2BADRA2CNISCHPSEN1
SCHEMBL697162 0.80 ADRA2A (0.52) ADRA2AADRA2BADRA2C
SCHEMBL698345 0.80 ADRA2A (0.52) ADRA2AADRA2BADRA2CTAAR1
SCHEMBL954220 0.80 ADRA2A (0.52) ADRA2AADRA2BADRA2CTAAR1
SCHEMBL701505 0.78 ADRA2A (0.50) ADRA2AADRA2BADRA2CNISCHTAAR1
SCHEMBL957222 0.78 ADRA2A (0.53) ADRA2AADRA2BADRA2CFAAH

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 ADRA2A 456/4885ADRA2B 317/4885ADRA2C 144/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ADRA2A 456/4885ADRA2B 317/4885ADRA2C 144/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ADRA2A 456/4885ADRA2B 317/4885ADRA2C 144/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ADRA2A 456/4885ADRA2B 317/4885ADRA2C 144/4885

“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.