SCHEMBL3526225

SCHEMBL3526225

Cc1cccc([C@@H](C)c2ncc[nH]2)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.53
ADRA2B P18089 2/20 0.53
ADRA2C P18825 2/20 0.53
NISCH Q9Y2I1 1/20 0.39
CYP19A1 P11511 3/20 0.38
F2RL1 P55085 3/20 0.36
TAAR1 Q96RJ0 2/20 0.36
FAAH O00519 1/20 0.35
AOC3 Q16853 1/20 0.35
MAPKAPK2 P49137 1/20 0.35
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
ACHE P22303 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL12716698 1.00 ADRA2A (0.53) ADRA2AADRA2BADRA2CNISCHCYP19A1
SCHEMBL697579 1.00 ADRA2A (0.53) ADRA2AADRA2BADRA2CNISCHCYP19A1
SCHEMBL27943468 0.83 ADRA2A (0.48) ADRA2AADRA2BADRA2CNISCHF2RL1
SCHEMBL697629 0.83 ADRA2A (0.48) ADRA2AADRA2BADRA2CNISCHF2RL1
SCHEMBL27924047 0.83 ADRA2A (0.48) ADRA2AADRA2BADRA2CNISCHF2RL1
SCHEMBL697162 0.83 ADRA2A (0.52) ADRA2AADRA2BADRA2CF2RL1
SCHEMBL954220 0.83 ADRA2A (0.52) ADRA2AADRA2BADRA2CTAAR1
SCHEMBL698345 0.83 ADRA2A (0.52) ADRA2AADRA2BADRA2CCYP19A1F2RL1
SCHEMBL698493 0.81 ADRA2A (0.58) ADRA2AADRA2BADRA2CNISCHTAAR1
SCHEMBL698729 0.81 ADRA2A (0.60) ADRA2AADRA2BADRA2CNISCHF2RL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.