SCHEMBL3060432

SCHEMBL3060432

COCCCN1C(=O)COc2ccc(COC3CN(C(=O)O)CCC3c3ccc(OCCCOc4ccc5c(c4)OCO5)cc3)cc21

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
REN P00797 6/20 0.44
CYP3A4 P08684 4/20 0.41
TSHR P16473 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
UTS2R Q9UKP6 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ALOX15 P16050 1/20 0.35
FPR1 P21462 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL3071036 0.93 REN (0.46) RENCYP3A4TSHR
SCHEMBL3083380 0.92 REN (0.43) RENCYP3A4TSHRCYP1A2CYP2C9
SCHEMBL3078201 0.92 REN (0.42) RENCYP3A4TSHRCYP1A2CYP2D6
SCHEMBL3083569 0.91 REN (0.45) RENCYP3A4TSHRHRH3ALOX15
SCHEMBL3086921 0.91 REN (0.42) RENCYP3A4TSHR
SCHEMBL3416949 0.91 REN (0.43) RENCYP3A4TSHRCYP1A2CYP2C9
SCHEMBL3080994 0.91 REN (0.41) RENCYP3A4TSHR
SCHEMBL3073158 0.90 REN (0.43) RENCYP3A4TSHRCYP1A2CYP2C9
SCHEMBL3072633 0.90 REN (0.43) RENCYP3A4TSHRHRH3UTS2R
SCHEMBL3071911 0.90 REN (0.41) RENCYP3A4TSHR

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 29/4885TSHR 3211/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 REN 1/4885CYP3A4 29/4885TSHR 3211/4885

“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.