SCHEMBL3069648

SCHEMBL3069648

C=CCOc1cc(CCl)ccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
HTR2C P28335 8/20 0.41
HTR2A P28223 6/20 0.41
HTR2B P41595 4/20 0.41
TTR P02766 2/20 0.39
LMNA P02545 3/20 0.38
ALDH1A1 P00352 4/20 0.37
CYP2D6 P10635 2/20 0.37
POLB P06746 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL2523355 0.86 GAA (0.45) ADRA2AADRA2BADRA2CGAATSHR
SCHEMBL2520278 0.85 GAA (0.44) ADRA2AADRA2BADRA2CGAATSHR
SCHEMBL2525832 0.85 TSHR (0.44) ADRA2AADRA2BADRA2CGAATSHR
SCHEMBL27742632 0.82 GAA (0.42) ADRA2AADRA2BADRA2CGAATSHR
SCHEMBL3065052 0.81 MAPT (0.41) GAATSHRTTRLMNAALDH1A1
SCHEMBL2525907 0.81 HTR2C (0.42) ADRA2AADRA2BADRA2CGAATSHR
SCHEMBL16685038 0.80 GAA (0.57) ADRA2AADRA2BADRA2CGAATSHR
SCHEMBL4879810 0.80 ALDH1A1 (0.56) GAATTRLMNAALDH1A1CYP2D6
SCHEMBL9781407 0.79 SYK (0.50) ADRA2AADRA2BADRA2CGAATSHR
SCHEMBL4523312 0.78 GAA (0.41) ADRA2AADRA2BADRA2CGAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 US disclosed
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 EP disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 WO 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-20090012055-A1 Organic compounds REN, ACE, ACE2 ADRA2A 153/4885ADRA2B 120/4885ADRA2C 44/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 ADRA2A 153/4885ADRA2B 120/4885ADRA2C 44/4885

“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.