SCHEMBL1038040

SCHEMBL1038040

COCCCCOc1ccc([C@H]2[C@H](CO)CN(S(=O)(=O)c3ccc(C)cc3)C[C@@H]2OCc2ccc3c(c2)N(CCCOC)CCO3)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
CYP2C9 P11712 1/20 0.36
POLB P06746 3/20 0.35
REN P00797 1/20 0.34
LMNA P02545 2/20 0.34
PKM P14618 2/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
RORC P51449 4/20 0.33
GAA P10253 1/20 0.33
TP53 P04637 1/20 0.32

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
SCHEMBL1037800 0.95 PKM (0.39) KMT2ACYP2C9POLBRENLMNA
SCHEMBL3916695 0.94 KMT2A (0.34) KMT2ACYP2C9POLBRENLMNA
SCHEMBL3916692 0.94 KMT2A (0.34) KMT2ACYP2C9POLBRENLMNA
SCHEMBL1036350 0.94 KMT2A (0.37) KMT2ACYP2C9POLBRENLMNA
SCHEMBL2683450 0.92 LMNA (0.38) KMT2ACYP2C9POLBRENLMNA
SCHEMBL3905612 0.91 POLB (0.38) KMT2ACYP2C9POLBRENMAPT
SCHEMBL3907620 0.89 PKM (0.39) KMT2ACYP2C9POLBRENLMNA
SCHEMBL3905192 0.88 PKM (0.39) KMT2ACYP2C9POLBRENLMNA
SCHEMBL3905637 0.87 PKM (0.39) KMT2ACYP2C9POLBRENLMNA
SCHEMBL3902390 0.86 PKM (0.39) KMT2ACYP2C9POLBRENLMNA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049514-B1 NITRATE ESTERS OF PIPERIDINES NOVARTIS AG (CH) 2011-01-26 EP disclosed
US-20090325947-A1 NITRATE ESTERS OF PIPERIDINES NOVARTIS AG (CH) 2009-12-31 US disclosed
EP-2049514-A1 NITRATE ESTERS OF PIPERIDINES Speedel Experimenta AG (CH) 2009-04-22 EP disclosed
US-20090029981-A1 SUBSTITUTED 4-PHENYLPIPERIDINES NOVARTIS AG (CH) 2009-01-29 US disclosed
EP-2018862-A1 Substituted piperidines as therapeutic compounds Speedel Experimenta AG (CH) 2009-01-28 EP disclosed
EP-1973903-A1 SUBSTITUTED 4-PHENYLPIPERIDINES Speedel Experimenta AG (CH) 2008-10-01 EP disclosed
WO-2008017685-A1 NITRATE ESTERS OF PIPERIDINES SPEEDEL EXPERIMENTA AG (CH) 2008-02-14 WO disclosed
WO-2007082907-A1 SUBSTITUTED 4-PHENYLPIPERIDINES SPEEDEL EXPERIMENTA AG (CH) 2007-07-26 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-20090029981-A1 SUBSTITUTED 4-PHENYLPIPERIDINES REN, AGTR2, ACE KMT2A 3138/4885CYP2C9 158/4885POLB 3461/4885
US-20090325947-A1 NITRATE ESTERS OF PIPERIDINES NOS2, NOS1, NOS3 KMT2A 3329/4885CYP2C9 882/4885POLB 1015/4885

“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.