SCHEMBL3083395

SCHEMBL3083395

O=C(OCc1ccccc1)N1CCC(c2ccc(OCCCOc3cc(F)ccc3F)cc2)C(OCc2ccc3c(c2)N(CCO)C(=O)CO3)C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 1/20 0.39
REN P00797 12/20 0.35
CYP3A4 P08684 5/20 0.35
HTR1A P08908 5/20 0.35
HTR1D P28221 5/20 0.35
HTR1B P28222 5/20 0.35
CYP2C9 P11712 4/20 0.35
CYP1A2 P05177 3/20 0.35
CYP2C19 P33261 3/20 0.35
CYP2D6 P10635 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL3061271 0.95 UTS2R (0.39) UTS2RRENCYP3A4HTR1AHTR1D
SCHEMBL3073526 0.91 UTS2R (0.36) UTS2RRENCYP3A4HTR1AHTR1D
SCHEMBL3062556 0.90 MAPT (0.35) UTS2RRENCYP3A4HTR1AHTR1D
SCHEMBL3073590 0.86 REN (0.37) RENPTGDR2
SCHEMBL3072558 0.85 REN (0.42) RENCYP3A4HTR1AHTR1DHTR1B
SCHEMBL3070325 0.85 UTS2R (0.40) UTS2RRENCYP3A4HTR1AHTR1D
SCHEMBL3071546 0.85 REN (0.44) UTS2RRENCYP3A4
SCHEMBL3066500 0.84 REN (0.48) RENCYP3A4
SCHEMBL3076146 0.84 REN (0.40) UTS2RRENCYP3A4HTR1AHTR1D
SCHEMBL3072592 0.83 REN (0.41) UTS2RRENCYP3A4

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 7 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
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 EP disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 WO 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 UTS2R 514/4885REN 1/4885CYP3A4 29/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 UTS2R 514/4885REN 1/4885CYP3A4 29/4885

“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.