SCHEMBL3066403

SCHEMBL3066403

COCCCN1C(=O)COc2ccc(COC3CN(C(=O)O)CCC3c3ccc(OCCCOc4ccccc4C)cc3)cc21

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
REN P00797 8/20 0.45
CYP3A4 P08684 5/20 0.44
HTR1A P08908 6/20 0.39
HTR1D P28221 6/20 0.39
HTR1B P28222 6/20 0.39
CYP2C9 P11712 5/20 0.39
CYP1A2 P05177 4/20 0.39
CYP2C19 P33261 3/20 0.39
TSHR P16473 2/20 0.38
CYP2D6 P10635 2/20 0.37
MAPT P10636 2/20 0.36
PPARG P37231 1/20 0.35
PPARD Q03181 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
SCHEMBL3077890 0.94 REN (0.48) RENCYP3A4HTR1AHTR1DHTR1B
SCHEMBL3071036 0.94 REN (0.46) RENCYP3A4TSHRMAPT
SCHEMBL3418842 0.93 REN (0.45) RENCYP3A4HTR1AHTR1DHTR1B
SCHEMBL3074214 0.93 REN (0.45) RENCYP3A4HTR1AHTR1DHTR1B
SCHEMBL3070839 0.92 REN (0.43) RENCYP3A4HTR1AHTR1DHTR1B
SCHEMBL3083380 0.91 REN (0.43) RENCYP3A4HTR1AHTR1DHTR1B
SCHEMBL3087147 0.91 REN (0.43) RENCYP3A4HTR1AHTR1DHTR1B
SCHEMBL3071444 0.91 REN (0.57) RENCYP3A4CYP1A2CYP2C19TSHR
SCHEMBL3416949 0.90 REN (0.43) RENCYP3A4HTR1AHTR1DHTR1B
SCHEMBL3060582 0.90 REN (0.42) RENCYP3A4HTR1AHTR1DHTR1B

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 29/4885HTR1A 1169/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 REN 1/4885CYP3A4 29/4885HTR1A 1169/4885

“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.