SCHEMBL3065054

SCHEMBL3065054

CCOc1cccc(OCCOc2ccc(C3CCN(C(=O)OCc4ccccc4)CC3OCc3ccc4c(c3)N(CCCOC)C(=O)CO4)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
REN P00797 6/20 0.41
UTS2R Q9UKP6 1/20 0.40
MAPT P10636 2/20 0.39
CYP3A4 P08684 2/20 0.38
CHRM1 P11229 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MET P08581 1/20 0.35
KCNH2 Q12809 1/20 0.35
OXTR P30559 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
HTR2A P28223 1/20 0.34
HTR7 P34969 1/20 0.34
OPRM1 P35372 1/20 0.34
SIGMAR1 Q99720 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
SCHEMBL3072557 0.96 REN (0.42) RENUTS2RMAPTCYP3A4CHRM1
SCHEMBL3072592 0.91 REN (0.41) RENUTS2RMAPTCYP3A4CHRM1
SCHEMBL3077558 0.91 UTS2R (0.42) RENUTS2RMAPTCYP3A4CHRM1
SCHEMBL3071485 0.90 UTS2R (0.40) RENUTS2RMAPTCYP3A4CHRM1
SCHEMBL3083965 0.90 UTS2R (0.39) RENUTS2RMAPTCYP3A4CHRM1
SCHEMBL3065614 0.90 REN (0.37) RENMETKCNH2ADORA3HTR2A
SCHEMBL3070773 0.90 UTS2R (0.39) RENUTS2RMAPTCYP3A4CHRM1
SCHEMBL3069812 0.89 UTS2R (0.43) RENUTS2RMAPTCYP3A4CHRM1
SCHEMBL3085332 0.89 UTS2R (0.40) RENUTS2RMAPTCYP3A4CHRM1
SCHEMBL3075980 0.88 UTS2R (0.42) RENUTS2RMAPTCYP3A4CHRM1

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 6 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
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 (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-20090012055-A1 Organic compounds REN, ACE, ACE2 REN 1/4885UTS2R 514/4885MAPT 2397/4885

“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.