SCHEMBL3079226

SCHEMBL3079226

COCCCN1CCOc2ccc(COC3CN(C(=O)OCc4ccccc4)CCC3c3ccc(OCCOc4cccc(Cl)c4)cc3)cc21

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 1/20 0.38
MET P08581 3/20 0.38
REN P00797 5/20 0.37
KCNH2 Q12809 1/20 0.36
KDM1A O60341 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA5 P30532 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
GRM5 P41594 1/20 0.34
BCHE P06276 1/20 0.34
HRH3 Q9Y5N1 4/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 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
SCHEMBL3061273 0.94 MET (0.39) METRENCHRNB2CHRNA5CHRNA7
SCHEMBL3065614 0.93 REN (0.37) METRENKCNH2CHRNB2CHRNA5
SCHEMBL3072664 0.93 GRM5 (0.40) RENCHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL3072342 0.93 CHRNB2 (0.39) RENKDM1AMAOAMAOBCHRNB2
SCHEMBL3078297 0.91 REN (0.38) RENKCNH2CHRNB2CHRNA5CHRNA7
SCHEMBL3072480 0.91 REN (0.38) RENKCNH2CHRNB2CHRNA5CHRNA7
SCHEMBL3073189 0.91 REN (0.38) RENKCNH2CHRNB2CHRNA5CHRNA7
SCHEMBL3070416 0.91 PDE4B (0.37) UTS2RRENCHRNB2CHRNA5CHRNA7
SCHEMBL3074775 0.90 REN (0.37) UTS2RRENKCNH2CHRNB2CHRNA5
SCHEMBL3077065 0.90 REN (0.37) UTS2RRENKCNH2CHRNB2CHRNA5

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 5 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

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 UTS2R 514/4885MET 1546/4885REN 1/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 UTS2R 514/4885MET 1546/4885REN 1/4885

“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.