SCHEMBL3544670

SCHEMBL3544670

COc1cc(C(=O)NC2CCN(C)C2)ccc1N

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 4/20 0.54
USP30 Q70CQ3 2/20 0.50
CHRM4 P08173 1/20 0.47
CHRM5 P08912 1/20 0.47
ADRA2C P18825 1/20 0.47
CHRM3 P20309 1/20 0.47
HTR1D P28221 1/20 0.47
ADRA1B P35368 1/20 0.47
HTR2B P41595 1/20 0.47
HTR3A P46098 1/20 0.47
MCHR1 Q99705 2/20 0.47
AURKA O14965 1/20 0.46
AURKB Q96GD4 1/20 0.46
LRRK2 Q5S007 1/20 0.46

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
SCHEMBL13846090 1.00 HTR4 (0.54) HTR4USP30CHRM4CHRM5ADRA2C
SCHEMBL13175736 1.00 HTR4 (0.54) HTR4USP30CHRM4CHRM5ADRA2C
SCHEMBL13846093 0.94 HTR4 (0.53) HTR4USP30CHRM4CHRM5ADRA2C
SCHEMBL13845987 0.94 HTR4 (0.53) HTR4USP30CHRM4CHRM5ADRA2C
SCHEMBL738237 0.93 HTR4 (0.53) HTR4MCHR1AURKAAURKBLRRK2
SCHEMBL13175766 0.90 HTR4 (0.50) HTR4USP30CHRM4CHRM5ADRA2C
SCHEMBL13880647 0.89 AURKA (0.52) HTR4MCHR1AURKAAURKBLRRK2
SCHEMBL3933554 0.87 SSTR5 (0.47) HTR4
SCHEMBL3537704 0.87 SSTR5 (0.47) HTR4
SCHEMBL13461288 0.86 SLC6A5 (0.51) HTR4AURKAAURKBLRRK2

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-7709471-B2 Compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
EP-2046793-A2 FUSED PYRIMIDO COMPOUNDS AstraZeneca AB (SE) 2009-04-15 EP disclosed
WO-2008003958-A2 FUSED PYRIMIDO COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 WO disclosed
US-20080009482-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 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 (1 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-20080009482-A1 NOVEL COMPOUNDS CYP11B2, CYP11B1, CYP46A1 HTR4 3043/4885USP30 4524/4885CHRM4 3442/4885

“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.