SCHEMBL4012159

SCHEMBL4012159

Cc1c(CCc2cccc(Cl)c2)cccc1[C@H](C)c1ncc[nH]1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.46
ADRA2A P08913 2/20 0.45
ADRA2B P18089 2/20 0.45
ADRA2C P18825 2/20 0.45
F2RL1 P55085 2/20 0.41
TAAR1 Q96RJ0 5/20 0.39
AOC3 Q16853 1/20 0.36
PNMT P11086 1/20 0.36
DAO P14920 1/20 0.36
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
P2RX7 Q99572 1/20 0.34
HTR6 P50406 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
SCHEMBL4009346 0.88 ADRA2A (0.47) ADRA2AADRA2BADRA2CF2RL1TAAR1
SCHEMBL697278 0.80 ADRA2A (0.53) ADRA2AADRA2BADRA2CF2RL1TAAR1
SCHEMBL697577 0.78 ADRA2A (0.56) ADRA2AADRA2BADRA2CF2RL1TAAR1
SCHEMBL702854 0.75 ADRA2A (0.58) ADRA2AADRA2BADRA2CF2RL1TAAR1
SCHEMBL28793807 0.73 ADRA2A (0.53) ADRA2AADRA2BADRA2CF2RL1TAAR1
SCHEMBL698345 0.72 ADRA2A (0.52) ADRA2AADRA2BADRA2CF2RL1TAAR1
Demiditraz SCHEMBL696353 0.72 ADRA2A (0.61) ADRA2AADRA2BADRA2CF2RL1TAAR1
Demiditraz SCHEMBL29388955 0.72 ADRA2A (0.61) ADRA2AADRA2BADRA2CF2RL1TAAR1
Demiditraz SCHEMBL697081 0.72 ADRA2A (0.61) ADRA2AADRA2BADRA2CF2RL1TAAR1
Demiditraz SCHEMBL617479 0.72 ADRA2A (0.61) ADRA2AADRA2BADRA2CF2RL1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 BACE1 2708/4885ADRA2A 456/4885ADRA2B 317/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 BACE1 2708/4885ADRA2A 456/4885ADRA2B 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.