SCHEMBL3414795

SCHEMBL3414795

COCCCN1C(=O)COc2ccc(COC3CN(C(=O)O)CCC3c3ccc(C(=O)N4CCC(c5ccccc5)CC4)cc3)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 2/20 0.40
TSHR P16473 1/20 0.37
HSD11B1 P28845 1/20 0.37
LIPE Q05469 1/20 0.37
REN P00797 3/20 0.36
CYP3A4 P08684 1/20 0.35
CHRM1 P11229 3/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 1/20 0.35
CNR2 P34972 1/20 0.34
TP53 P04637 2/20 0.34
POLB P06746 2/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
DRD2 P14416 1/20 0.34
CHRM3 P20309 1/20 0.34
HTR2A P28223 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34

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
SCHEMBL3081059 0.92 UTS2R (0.42) UTS2RTSHRHSD11B1LIPEREN
SCHEMBL3075058 0.90 TSHR (0.41) TSHRRENCYP3A4CHRM1MAPT
SCHEMBL13030648 0.90 REN (0.43) UTS2RREN
SCHEMBL3071263 0.89 TSHR (0.40) TSHRRENCYP3A4CHRM1MAPT
SCHEMBL3070724 0.89 TSHR (0.42) TSHRRENCHRM1MAPTKMT2A
SCHEMBL3071036 0.88 REN (0.46) TSHRRENCYP3A4CHRM1MAPT
SCHEMBL3075980 0.85 UTS2R (0.42) UTS2RTSHRRENCYP3A4CHRM1
SCHEMBL3077890 0.84 REN (0.48) TSHRRENCYP3A4CHRM1MAPT
SCHEMBL3070243 0.84 UTS2R (0.43) UTS2RTSHRRENCHRM1MAPT
SCHEMBL3083380 0.84 REN (0.43) TSHRRENCYP3A4MAPTKMT2A

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 3 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 514/4885TSHR 3211/4885HSD11B1 697/4885

“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.