SCHEMBL2808804

SCHEMBL2808804

COCCCN1C(=O)C(C)(C)Oc2ccc(CO)cc21

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
REN P00797 8/20 0.55
CYP2C9 P11712 5/20 0.44
CYP2D6 P10635 4/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
CYP3A4 P08684 3/20 0.43
POLB P06746 4/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
USP2 O75604 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.39

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
SCHEMBL2805180 0.91 REN (0.48) RENCYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL2811094 0.88 REN (0.55) RENCYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL3072690 0.88 REN (0.55) RENCYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL8004572 0.86 REN (0.42) RENCYP2C9CYP2D6CYP3A4ALDH1A1
SCHEMBL89417 0.84 REN (0.59) RENCYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL15087927 0.83 REN (0.56) RENCYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL89400 0.83 REN (0.62) RENCYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL2807782 0.83 REN (0.50) RENCYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL2237924 0.83 REN (0.54) RENCYP2C9CYP1A2CYP2C19POLB
SCHEMBL2241026 0.82 ALDH1A1 (0.54) RENCYP2C9CYP1A2CYP2C19POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168952-B1 MORPHOLINE DERIVATIVES AS RENIN INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2017-02-15 EP disclosed
US-8975252-B2 Morpholine derivative SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-03-10 US disclosed
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-20100240644-A1 MORPHOLINE DERIVATIVE SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2010-09-23 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
EP-2168952-A1 MORPHOLINE DERIVATIVE Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP disclosed
WO-2009106599-A2 SUBSTITUTED PIPERIDINES AS THERAPEUTIC COMPOUNDS NOVARTIS AG (CH) 2009-09-03 WO 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
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 (3 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-20100240644-A1 MORPHOLINE DERIVATIVE REN, AGTR1, AGTR2 REN 1/4885CYP2C9 257/4885CYP2D6 132/4885
US-20090012055-A1 Organic compounds REN, ACE, ACE2 REN 1/4885CYP2C9 63/4885CYP2D6 46/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 REN 1/4885CYP2C9 63/4885CYP2D6 46/4885

“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.