SCHEMBL3078046

SCHEMBL3078046

COc1ccccc1COCCCOc1ccc(C2CCN(C(=O)O)CC2OCCOc2ccc(F)cc2CCNC(C)=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
REN P00797 17/20 0.49
CYP3A4 P08684 1/20 0.42
MTNR1B P49286 3/20 0.40
MTNR1A P48039 2/20 0.40

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
SCHEMBL3072453 0.95 REN (0.49) RENCYP3A4MTNR1BMTNR1A
SCHEMBL3072693 0.95 REN (0.51) RENCYP3A4MTNR1BMTNR1A
SCHEMBL3084316 0.94 REN (0.49) RENCYP3A4MTNR1BMTNR1A
SCHEMBL3081355 0.92 REN (0.47) RENCYP3A4
SCHEMBL3077534 0.90 REN (0.49) RENCYP3A4MTNR1BMTNR1A
SCHEMBL3085280 0.90 REN (0.47) RENCYP3A4
SCHEMBL3080682 0.90 REN (0.47) RENCYP3A4MTNR1BMTNR1A
SCHEMBL3072492 0.90 REN (0.43) REN
SCHEMBL3068410 0.90 REN (0.48) RENCYP3A4MTNR1BMTNR1A
SCHEMBL3079274 0.89 REN (0.45) REN

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 REN 1/4885CYP3A4 29/4885MTNR1B 1389/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 REN 1/4885CYP3A4 29/4885MTNR1B 1389/4885

“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.