SCHEMBL1942503

SCHEMBL1942503

COc1cc(CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H](OC[C@H]3CO3)[C@@H]2c2ccc(OCCCOc3ccccc3[N+](=O)[O-])cc2)cc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 5/20 0.45
PDE4B Q07343 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
AXL P30530 1/20 0.34
MERTK Q12866 1/20 0.34
ALDH1A1 P00352 3/20 0.32
MAPT P10636 3/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
KLK7 P49862 1/20 0.32
BTK Q06187 1/20 0.32
BACE1 P56817 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL7382299 1.00 REN (0.45) RENPDE4BSMN1; SMN2KMT2ANPC1
SCHEMBL1941360 0.93 REN (0.42) RENPDE4BSMN1; SMN2KMT2ANPC1
SCHEMBL1941227 0.89 REN (0.46) RENPDE4BKMT2AAXLMERTK
SCHEMBL1941653 0.89 REN (0.58) RENPDE4BSMN1; SMN2KMT2ANPC1
SCHEMBL1941657 0.89 REN (0.58) RENPDE4BSMN1; SMN2KMT2ANPC1
SCHEMBL1942518 0.88 REN (0.59) RENPDE4B
SCHEMBL1941744 0.88 REN (0.59) RENPDE4B
SCHEMBL1941862 0.85 REN (0.42) RENPDE4BAXLMERTKKLK7
SCHEMBL1942506 0.84 REN (0.51) RENPDE4BSMN1; SMN2KMT2ANPC1
SCHEMBL1940347 0.84 REN (0.49) RENPDE4BSMN1; SMN2KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1175400-B1 RENIN INHIBITORS HOFFMANN LA ROCHE (CH) 2011-06-15 EP disclosed
US-6673931-B2 (4-(4-(3-(2-METHOXY-BENZYLOXY)-PROPOXY)-PHENYL)-5-(4-METHOXY -NAPHTHALEN-2-YLMETHOXY)-PIPERIDIN-3-YL)-METHANOL FOR EXAMPLE; USE TREATING RESTENOSIS, GLAUCOMA, CARDIAC AND KIDNEY INSUFFICIENCY HOFFMAN-LA ROCHE INC. 2004-01-06 US disclosed
US-20020087002-A1 Naphthalenyl piperidines as renin inhibitors NOVARTIS AG (CH) 2002-07-04 US disclosed
US-6376672-B1 RESTENOSIS; VISION DEFECTS; CARDIOVASCULAR DISORDERS; KIDNEY DIEASES HOFFMANN-LA ROCHE INC. 2002-04-23 US disclosed
EP-1175400-A1 RENIN INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-30 EP disclosed
WO-2000064873-A1 RENIN INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2000-11-02 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 (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-20020087002-A1 Naphthalenyl piperidines as renin inhibitors REN, TNNI3, PTGIS REN 1/4885PDE4B 364/4885SMN1; SMN2 3528/4885

“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.