SCHEMBL1040648

SCHEMBL1040648

COCCCN1CCOc2ccc(CO[C@H]3CN(C(=O)O)C[C@@H](OCC(O)COC)[C@@H]3c3ccc(OC)cc3)cc21

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.37
THRB P10828 3/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPT P10636 1/20 0.35
TP53 P04637 1/20 0.33
LMNA P02545 1/20 0.33
RORC P51449 2/20 0.32
PIK3CD O00329 2/20 0.32
PIK3CA P42336 2/20 0.32
KMT2A Q03164 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
SCHEMBL1040647 1.00 REN (0.37) RENTHRBALDH1A1CYP3A4CYP2D6
SCHEMBL3907384 0.96 REN (0.35) RENTHRBALDH1A1CYP3A4CYP2D6
SCHEMBL3907389 0.96 REN (0.35) RENTHRBALDH1A1CYP3A4CYP2D6
SCHEMBL1040582 0.95 REN (0.36) RENTHRBALDH1A1CYP3A4CYP2D6
SCHEMBL1040580 0.95 REN (0.36) RENTHRBALDH1A1CYP3A4CYP2D6
SCHEMBL3905401 0.95 REN (0.36) RENTHRBALDH1A1CYP3A4CYP2D6
SCHEMBL3915143 0.95 REN (0.39) RENRORCPIK3CDPIK3CA
SCHEMBL3902447 0.95 REN (0.39) RENRORCPIK3CDPIK3CA
SCHEMBL3902441 0.95 REN (0.39) RENRORCPIK3CDPIK3CA
SCHEMBL3908974 0.95 REN (0.36) RENTHRBALDH1A1CYP3A4CYP2D6

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 2 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

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-20090325947-A1 NITRATE ESTERS OF PIPERIDINES NOS2, NOS1, NOS3 REN 29/4885THRB 2871/4885ALDH1A1 566/4885

“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.