SCHEMBL3079425

SCHEMBL3079425

COc1ccccc1CCOCCOc1ccc(C2CCN(C(=O)O)CC2OCCOc2ccccc2CCNC(C)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 6/20 0.44
MTNR1A P48039 5/20 0.44
REN P00797 4/20 0.43
NPC1 O15118 1/20 0.42
APOBEC3A P31941 1/20 0.42
RAB9A P51151 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
KMT2A Q03164 1/20 0.38
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
YAP1 P46937 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
SCHEMBL3072693 0.93 REN (0.51) MTNR1BMTNR1ARENNPC1APOBEC3A
SCHEMBL3079268 0.93 MTNR1B (0.43) MTNR1BMTNR1ARENNPC1APOBEC3A
SCHEMBL3070956 0.92 MTNR1B (0.44) MTNR1BMTNR1ARENNPC1APOBEC3A
SCHEMBL3078630 0.91 PDE4B (0.41) MTNR1BMTNR1ARENNPC1APOBEC3A
SCHEMBL3072743 0.88 ALDH1A1 (0.40) RENNPC1APOBEC3ARAB9AAPOBEC3G
SCHEMBL3078046 0.88 REN (0.49) MTNR1BMTNR1ARENCYP3A4
SCHEMBL3081724 0.87 MTNR1A (0.41) MTNR1BMTNR1ARENNPC1APOBEC3A
SCHEMBL3077534 0.87 REN (0.49) MTNR1BMTNR1ARENNPC1APOBEC3A
SCHEMBL3072453 0.87 REN (0.49) MTNR1BMTNR1ARENNPC1APOBEC3A
SCHEMBL3084316 0.87 REN (0.49) MTNR1BMTNR1ARENCYP3A4

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 MTNR1B 1389/4885MTNR1A 2695/4885REN 1/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 MTNR1B 1389/4885MTNR1A 2695/4885REN 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.