SCHEMBL3071552

SCHEMBL3071552

CC(=O)NCCc1ccc(F)cc1OCCOC1CN(C(=O)O)CCC1c1ccc(OCCCOc2ccccc2Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.38
MTNR1B P49286 7/20 0.38
REN P00797 3/20 0.37
OXTR P30559 1/20 0.34
AVPR1A P37288 1/20 0.34
AVPR1B P47901 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
CYP3A4 P08684 1/20 0.34
PPARD Q03181 2/20 0.34
PPARA Q07869 2/20 0.34
NPC1 O15118 1/20 0.34
APOBEC3A P31941 1/20 0.34
RAB9A P51151 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
GAA P10253 1/20 0.34
PPARG P37231 1/20 0.33

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
SCHEMBL3081724 0.93 MTNR1A (0.41) MTNR1AMTNR1BRENOXTRAVPR1A
SCHEMBL3059850 0.92 MTNR1A (0.42) MTNR1AMTNR1BRENGAA
SCHEMBL3075977 0.91 PDE4B (0.39) MTNR1AMTNR1BREN
SCHEMBL3414880 0.90 MAOB (0.38) MTNR1AMTNR1BRENGAA
SCHEMBL3072453 0.89 REN (0.49) MTNR1AMTNR1BRENCYP3A4NPC1
SCHEMBL3078010 0.87 MTNR1A (0.38) MTNR1AMTNR1BRENNPC1APOBEC3A
SCHEMBL3072274 0.87 CNR1 (0.34) MTNR1AMTNR1BRENNPC1APOBEC3A
SCHEMBL3065219 0.85 REN (0.48) RENCYP3A4
SCHEMBL13030556 0.85 REN (0.48) RENCYP3A4
SCHEMBL3068410 0.85 REN (0.48) MTNR1AMTNR1BRENCYP3A4

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