SCHEMBL1910604

SCHEMBL1910604

Nc1cnccc1[C@H]1OC[C@H](COCc2ccccc2)O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.43
HRH4 Q9H3N8 4/20 0.42
HRH3 Q9Y5N1 4/20 0.42
LMNA P02545 1/20 0.40
DRD1 P21728 1/20 0.38
BACE1 P56817 2/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CHRM2 P08172 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
SLC6A2 P23975 1/20 0.33
CYP19A1 P11511 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
CDC7 O00311 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL326145 0.82 LMNA (0.39) TAAR1HRH4HRH3LMNADRD1
SCHEMBL153049 0.72 LMNA (0.57) TAAR1HRH4HRH3LMNADRD1
SCHEMBL306297 0.72 LMNA (0.57) TAAR1HRH4HRH3LMNADRD1
SCHEMBL715660 0.72 LMNA (0.57) TAAR1HRH4HRH3LMNADRD1
Water SCHEMBL8913477 0.71 LMNA (0.55) TAAR1HRH4HRH3LMNAMEN1
SCHEMBL16993434 0.71 LMNA (0.55) TAAR1HRH4HRH3LMNADRD1
Ammonia Solution, Strong SCHEMBL28849284 0.71 LMNA (0.55) TAAR1HRH4HRH3LMNADRD1
SCHEMBL24113821 0.71 LMNA (0.42) TAAR1HRH4HRH3LMNADRD1
SCHEMBL10586154 0.70 CHRM2 (0.56) HRH4HRH3LMNACHRM2CHRM1
Ethylene SCHEMBL27465209 0.70 LMNA (0.54) TAAR1HRH4HRH3LMNAMEN1

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-20130109682-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2013-05-02 US disclosed
US-20130109682-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2013-05-02 US disclosed
US-20130109682-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2013-05-02 US disclosed
WO-2012004217-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-12 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 (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-20130109682-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS PIM1, GSK3A, GSK3B TAAR1 4860/4885HRH4 4297/4885HRH3 3473/4885

“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.