SCHEMBL2175523

SCHEMBL2175523

COCCCOc1cc([C@@H]2N[C@H](C(=O)OC(C)C)C[C@@H]2C(C)=O)ccc1OC

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
REN P00797 16/20 0.42
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDE4B Q07343 2/20 0.38
SMPD1 P17405 1/20 0.37
HTR1A P08908 2/20 0.37
ADRA1D P25100 2/20 0.37
HTR2A P28223 2/20 0.37
ADRA1A P35348 2/20 0.37
ADRA1B P35368 2/20 0.37
HTR2B P41595 2/20 0.37
KCNH2 Q12809 2/20 0.37

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
SCHEMBL2175109 1.00 REN (0.42) RENTP53SMN1; SMN2PDE4BSMPD1
SCHEMBL1133270 0.88 REN (0.41) RENPDE4BHTR1AADRA1DHTR2A
SCHEMBL1133271 0.88 REN (0.41) RENPDE4BHTR1AADRA1DHTR2A
SCHEMBL1133185 0.88 PDE4A (0.46) RENTP53SMN1; SMN2PDE4B
SCHEMBL1133221 0.88 PDE4A (0.46) RENTP53SMN1; SMN2PDE4B
SCHEMBL4955261 0.87 REN (0.40) RENTP53SMN1; SMN2PDE4BHTR1A
SCHEMBL3389298 0.87 REN (0.40) RENTP53SMN1; SMN2PDE4BHTR1A
SCHEMBL4955591 0.87 REN (0.40) RENTP53SMN1; SMN2PDE4BHTR1A
SCHEMBL1133256 0.87 PDE4B (0.45) RENTP53SMN1; SMN2PDE4B
SCHEMBL2178941 0.87 PDE4B (0.45) RENTP53SMN1; SMN2PDE4B

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-20110230665-A1 SYNTHESIS OF RENIN INHIBITORS INVOLVING A CYCLOADDITION REACTION MICKEL STUART JOHN 2011-09-22 US disclosed
US-7973175-B2 pyrrolidine chemical intermediates useful in the synthesis of drugs, especially enzyme inhibitors, such as Aliskiren NOVARTIS AG (CH) 2011-07-05 US disclosed
US-20080255369-A1 Synthesis of Renin Inhibitors Involving a Cycloaddition Reaction NOVARTIS AG (CH) 2008-10-16 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 (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-20080255369-A1 Synthesis of Renin Inhibitors Involving a Cycloaddition Reaction REN, AGTR1, AGTR2 REN 1/4885TP53 4734/4885SMN1; SMN2 4443/4885
US-20110230665-A1 SYNTHESIS OF RENIN INHIBITORS INVOLVING A CYCLOADDITION REACTION REN, AGTR1, AGTR2 REN 1/4885TP53 4734/4885SMN1; SMN2 4443/4885

“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.