SCHEMBL3077534

SCHEMBL3077534

COc1ccccc1COCCCOc1ccc(C2CCN(C(=O)O)CC2OCCOc2cc(C)ccc2CCNC(C)=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
REN P00797 18/20 0.49
CYP3A4 P08684 1/20 0.42
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
NPC1 O15118 1/20 0.38
APOBEC3A P31941 1/20 0.38
RAB9A P51151 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38

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
SCHEMBL3084316 0.95 REN (0.49) RENCYP3A4MTNR1AMTNR1B
SCHEMBL3072693 0.94 REN (0.51) RENCYP3A4MTNR1AMTNR1BNPC1
SCHEMBL3072453 0.94 REN (0.49) RENCYP3A4MTNR1AMTNR1BNPC1
SCHEMBL3068410 0.93 REN (0.48) RENCYP3A4MTNR1AMTNR1B
SCHEMBL3083862 0.92 REN (0.46) RENCYP3A4
SCHEMBL3078046 0.90 REN (0.49) RENCYP3A4MTNR1AMTNR1B
SCHEMBL3059518 0.89 REN (0.48) RENCYP3A4
SCHEMBL3073060 0.89 REN (0.49) RENCYP3A4MTNR1AMTNR1B
SCHEMBL3079274 0.89 REN (0.45) RENNPC1APOBEC3ARAB9AAPOBEC3G
SCHEMBL3072492 0.88 REN (0.43) RENNPC1APOBEC3ARAB9AAPOBEC3G

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 29/4885MTNR1A 2695/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 REN 1/4885CYP3A4 29/4885MTNR1A 2695/4885

“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.